SCHEMBL31060209

SCHEMBL31060209

COc1ccccc1-c1ccnc(Nc2cccc(CS(N)(=O)=O)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 16/20 0.72
▸ CCNT1 O60563 15/20 0.72
▸ CDK2 P24941 4/20 0.72
▸ GSK3A P49840 4/20 0.72
▸ MAP4K4 O95819 3/20 0.72
▸ CDK1 P06493 3/20 0.72
▸ CCNB1 P14635 3/20 0.72
▸ ABL2 P42684 3/20 0.72
▸ CDK5 Q00535 3/20 0.72
▸ CDK4 P11802 2/20 0.72
▸ CCND1 P24385 2/20 0.72
▸ CDK7 P50613 2/20 0.72
▸ CCNH P51946 2/20 0.72
▸ MNAT1 P51948 2/20 0.72
▸ CCNA2 P20248 2/20 0.72
▸ CCNA1 P78396 2/20 0.72
▸ CDK5R1 Q15078 2/20 0.72
▸ CCNE1 P24864 3/20 0.53
▸ CCNE2 O96020 2/20 0.53
▸ MAPK8 P45983 2/20 0.46

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
SCHEMBL12487298 1.00 CDK9 (0.72) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL12487288 0.90 CDK9 (0.67) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL12485959 0.90 CDK9 (0.59) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL12487274 0.84 CDK9 (0.70) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL4430368 0.84 CDK9 (1.00) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL29486339 0.84 CDK9 (1.00) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL3005997 0.82 CDK9 (0.70) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL17257720 0.81 CDK9 (0.70) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL12486011 0.81 CDK9 (0.66) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL16108038 0.81 CDK9 (0.52) CDK9CCNT1CDK2GSK3AMAP4K4

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
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 — — EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 — — WO disclosed
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