SCHEMBL29618190

SCHEMBL29618190

Cc1ccc(C(=O)Nc2ccc(CN3CCNCC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 1.00
▸ ABL2 P42684 2/20 0.86
▸ CYP3A4 P08684 2/20 0.86
▸ KCNH2 Q12809 2/20 0.86
▸ GAK O14976 1/20 0.86
▸ MLNR O43193 1/20 0.86
▸ RIPK2 O43353 1/20 0.86
▸ JAK2 O60674 1/20 0.86
▸ NR1I2 O75469 1/20 0.86
▸ ABCB11 O95342 1/20 0.86
▸ MAP4K4 O95819 1/20 0.86
▸ EGFR P00533 1/20 0.86
▸ NR3C1 P04150 1/20 0.86
▸ ERBB2 P04626 1/20 0.86
▸ NTRK1 P04629 1/20 0.86
▸ LCK P06239 1/20 0.86
▸ FYN P06241 1/20 0.86
▸ PGR P06401 1/20 0.86
▸ CSF1R P07333 1/20 0.86
▸ YES1 P07947 1/20 0.86

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
SCHEMBL30464941 1.00 ABL1 (1.00) ABL1ABL2CYP3A4KCNH2GAK
SCHEMBL588523 1.00 ABL1 (1.00) ABL1ABL2CYP3A4KCNH2GAK
Hydrochloric Acid SCHEMBL25235834 0.99 ABL1 (0.99) ABL1ABL2CYP3A4KCNH2GAK
Hydrochloric Acid SCHEMBL30459675 0.99 ABL1 (0.99) ABL1ABL2CYP3A4KCNH2GAK
SCHEMBL15144985 0.94 ABL1 (0.89) ABL1ABL2CYP3A4KCNH2GAK
SCHEMBL20143350 0.93 ABL1 (0.91) ABL1ABL2CYP3A4KCNH2GAK
SCHEMBL15294699 0.92 ABL1 (1.00) ABL1ABL2CYP3A4KCNH2GAK
Ponatinib SCHEMBL29353054 0.92 ABL1 (1.00) ABL1ABL2CYP3A4KCNH2GAK
SCHEMBL24685833 0.92 ABL1 (0.90) ABL1ABL2CYP3A4KCNH2GAK
Ponatinib SCHEMBL589260 0.92 ABL1 (1.00) ABL1ABL2CYP3A4KCNH2GAK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120202200-A Oxo-isoindolinyl substituted tetrahydropyrimidinedione-based compounds and applications thereof 标新生物医药科技(上海)有限公司 2025-06-24 — — CN disclosed
EP-4232023-A1 COMPOUNDS FOR TARGETED PROTEIN DEGRADATION OF KINASES Dana-Farber Cancer Institute, Inc. (US) 2023-08-30 — — EP disclosed
WO-2022093742-A1 COMPOUNDS FOR TARGETED PROTEIN DEGRADATION OF KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-05 — — WO disclosed
CN-110357889-B Protein degradation targeting compound, anti-tumor application thereof, intermediate thereof and application of intermediate 上海科技大学 2022-03-15 — — CN disclosed
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