SCHEMBL24005756

SCHEMBL24005756

COC(=O)c1nc2[nH]ccc2cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 3/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ABL1 P00519 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ KDR P35968 3/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PLK4 O00444 1/20 0.37
▸ DCLK1 O15075 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ INSR P06213 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ FES P07332 1/20 0.37
▸ ROS1 P08922 1/20 0.37

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
SCHEMBL31398541 0.83 CDK8 (0.46) CDK8NPSR1ABL1KDM4EALDH1A1
SCHEMBL20551884 0.83 CDK8 (0.46) CDK8NPSR1ABL1KITKDR
SCHEMBL30452148 0.83 CDK8 (0.46) CDK8NPSR1ABL1KITKDR
SCHEMBL25613170 0.80 CDK8 (0.44) CDK8NPSR1ABL1KITKDR
SCHEMBL25650901 0.80 CDK8 (0.44) CDK8NPSR1ABL1KITKDR
SCHEMBL30675159 0.78 KDM4E (0.41) CDK8NPSR1ABL1KDM4EALDH1A1
SCHEMBL21060155 0.78 KDM4E (0.41) CDK8NPSR1ABL1KDM4EALDH1A1
SCHEMBL4792436 0.77 CDK8 (0.47) CDK8KDRKDM4EALDH1A1SMN1; SMN2
SCHEMBL31497493 0.73 CHEK1 (0.50) CDK8ABL1KDRKDM4ESMN1; SMN2
SCHEMBL4793467 0.73 CDK8 (0.46) CDK8NPSR1ABL1KDRKDM4E

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-2021223736-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-11-11 — — WO disclosed
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