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Sorafenib

Sorafenib

SCHEMBL18496409

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

BRAFFLT1FLT3FLT4KDRKITPDGFRBRAF1RET

The experimentally established mechanism targets of Sorafenib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR known ✓ P35968 5/20 1.00
▸ RAF1 known ✓ P04049 12/20 0.81
▸ BRAF known ✓ P15056 4/20 0.81
▸ RET known ✓ P07949 3/20 0.81
▸ PDGFRB known ✓ P09619 2/20 0.81
▸ KIT known ✓ P10721 2/20 0.81
▸ FLT1 known ✓ P17948 2/20 0.81
▸ FLT4 known ✓ P35916 2/20 0.81
▸ FLT3 known ✓ P36888 2/20 0.81
▸ AURKB Q96GD4 2/20 1.00
▸ NTSR1 P30989 1/20 1.00
▸ MC4R P32245 1/20 1.00
▸ PAX8 Q06710 1/20 1.00
▸ RIPK2 O43353 2/20 0.81
▸ ABCB11 O95342 2/20 0.81
▸ ABL1 P00519 2/20 0.81
▸ HTR1A P08908 2/20 0.81
▸ ADORA3 P0DMS8 2/20 0.81
▸ FGFR1 P11362 2/20 0.81
▸ PDGFRA P16234 2/20 0.81

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Sorafenib SCHEMBL162935 1.00 KDR (1.00) KDRAURKBNTSR1MC4RPAX8
Sorafenib SCHEMBL15939735 1.00 KDR (1.00) KDRAURKBNTSR1MC4RPAX8
Sorafenib SCHEMBL29919725 1.00 KDR (1.00) KDRAURKBNTSR1MC4RPAX8
Sorafenib SCHEMBL28204502 0.99 KDR (0.98) KDRAURKBNTSR1MC4RPAX8
Sorafenib SCHEMBL3660939 0.99 KDR (0.98) KDRAURKBNTSR1MC4RPAX8
Sorafenib SCHEMBL16051185 0.97 KDR (0.94) KDRAURKBNTSR1MC4RPAX8
Sorafenib SCHEMBL3664023 0.97 KDR (0.94) KDRAURKBNTSR1MC4RPAX8
Cm-4307 SCHEMBL14673524 0.95 KDR (0.90) KDRAURKBNTSR1MC4RPAX8
Sorafenib SCHEMBL19322 0.93 KDR (0.87) KDRAURKBNTSR1MC4RPAX8
Sorafenib SCHEMBL18264082 0.93 KDR (0.86) KDRAURKBNTSR1MC4RPAX8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4331569-A1 SORAFENIB OR DONAFENIB ORAL PREPARATION WITH LOW DOSE AND HIGH DRUG EXPOSURE, AND APPLICATION THEREOF Beijing Creatron Institute of Pharmaceutical Research Co., Ltd. (CN) 2024-03-06 — — EP disclosed
WO-2023155307-A1 SORAFENIB OR DONAFENIB ORAL PREPARATION WITH LOW DOSE AND HIGH DRUG EXPOSURE, AND APPLICATION THEREOF 北京睿创康泰医药研究院有限公司 2023-08-24 — — WO disclosed
WO-2023155182-A1 LOW-DOSE, HIGH-EXPOSURE SORAFENIB OR DONAFENIB ORAL FORMULATION AND USE THEREOF 北京睿创康泰医药研究院有限公司 2023-08-24 — — WO disclosed
EP-3621633-A2 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF Aileron Therapeutics, Inc. (US) 2020-03-18 — — EP disclosed
WO-2018208954-A2 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. (US) 2018-11-15 — — WO disclosed
EP-3344275-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF Aileron Therapeutics, Inc. (US) 2018-07-11 — — EP disclosed
WO-2017027673-A9 DEVICES, SYSTEM AND METHOD TO CONTROL THE DELIVERY OF ORAL MEDICATIONS VALENTINE EDMUND L (US) 2017-04-20 — — WO disclosed
WO-2017040990-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. (US) 2017-03-09 — — WO disclosed
WO-2017027673-A1 DEVICES, SYSTEM AND METHOD TO CONTROL THE DELIVERY OF ORAL MEDICATIONS VALENTINE EDMUND L (US) 2017-02-16 — — WO disclosed