SCHEMBL31704569

SCHEMBL31704569

COC(=O)c1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc(C2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 1/20 0.49
▸ CDK13 Q14004 1/20 0.49
▸ CDK12 Q9NYV4 1/20 0.49
▸ NAMPT P43490 1/20 0.47
▸ JAK1 P23458 1/20 0.46
▸ PDK4 Q16654 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ GRM1 Q13255 9/20 0.42
▸ GRM5 P41594 8/20 0.42
▸ CYP11B2 P19099 1/20 0.41
▸ TNK2 Q07912 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ KIT P10721 1/20 0.38
▸ UCHL1 P09936 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ HTR6 P50406 1/20 0.38

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
SCHEMBL31706330 0.89 CDK7 (0.41) CDK7CDK13CDK12NAMPTJAK1
SCHEMBL31706237 0.85 NAMPT (0.50) CDK7CDK13CDK12NAMPTJAK1
SCHEMBL31706901 0.85 NAMPT (0.50) CDK7CDK13CDK12NAMPTJAK1
SCHEMBL31705023 0.84 NR1H2 (0.40) NAMPTUCHL1USP30
SCHEMBL31704684 0.84 NR1H2 (0.40) NAMPTUCHL1USP30
SCHEMBL2951348 0.81 NAMPT (0.60) CDK7CDK13CDK12NAMPTJAK1
SCHEMBL31705099 0.81 KDM4E (0.53) NAMPT
SCHEMBL22324970 0.81 NAMPT (0.55) CDK7CDK13CDK12NAMPTJAK1
SCHEMBL31706789 0.81 NAMPT (0.55) CDK7CDK13CDK12NAMPTJAK1
SCHEMBL31705649 0.81 NAMPT (0.42) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 — — WO disclosed
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