Sorafenib

Sorafenib

SCHEMBL19554804

CNC(=O)c1cc(Oc2ccc(N(C(N)=O)c3ccc(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

nearest known ligand 0.84

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 0.84
RAF1 known ✓ P04049 12/20 0.68
BRAF known ✓ P15056 4/20 0.68
RET known ✓ P07949 3/20 0.68
PDGFRB known ✓ P09619 2/20 0.68
KIT known ✓ P10721 2/20 0.68
FLT1 known ✓ P17948 2/20 0.68
FLT4 known ✓ P35916 2/20 0.68
FLT3 known ✓ P36888 2/20 0.68
AURKB Q96GD4 2/20 0.84
NTSR1 P30989 1/20 0.84
MC4R P32245 1/20 0.84
PAX8 Q06710 1/20 0.84
RIPK2 O43353 2/20 0.68
ABCB11 O95342 2/20 0.68
ABL1 P00519 2/20 0.68
HTR1A P08908 2/20 0.68
ADORA3 P0DMS8 2/20 0.68
FGFR1 P11362 2/20 0.68
PDGFRA P16234 2/20 0.68

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
SCHEMBL1702025 0.94 KDR (0.72) KDRAURKBNTSR1MC4RPAX8
Sorafenib SCHEMBL18496409 0.92 KDR (1.00) KDRAURKBNTSR1MC4RPAX8
Sorafenib SCHEMBL29919725 0.92 KDR (1.00) KDRAURKBNTSR1MC4RPAX8
Sorafenib SCHEMBL15939735 0.92 KDR (1.00) KDRAURKBNTSR1MC4RPAX8
Sorafenib SCHEMBL162935 0.92 KDR (1.00) KDRAURKBNTSR1MC4RPAX8
Sorafenib SCHEMBL16699243 0.92 RAF1 (0.81) KDRAURKBNTSR1MC4RPAX8
Sorafenib SCHEMBL3660939 0.91 KDR (0.98) KDRAURKBNTSR1MC4RPAX8
Sorafenib SCHEMBL28204502 0.91 KDR (0.98) KDRAURKBNTSR1MC4RPAX8
Sorafenib SCHEMBL16051185 0.90 KDR (0.94) KDRAURKBNTSR1MC4RPAX8
Sorafenib SCHEMBL3664023 0.89 KDR (0.94) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11657895-B2 Methods for identifying treatment targets based on multiomics data INSTITUTE FOR SYSTEMS BIOLOGY (US) 2023-05-23 US disclosed
WO-2017192662-A2 METHODS FOR IDENTIFYING TREATMENT TARGETS BASED ON MULTIOMICS DATA INSTITUTE FOR SYSTEMS BIOLOGY (US) 2017-11-09 WO disclosed