SCHEMBL31398541

SCHEMBL31398541

COC(=O)c1nc2[nH]ccc2cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.43
▸ PKM P14618 2/20 0.43
▸ RCE1 Q9Y256 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ RHEB Q15382 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NR4A2 P43354 4/20 0.36

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
SCHEMBL24005756 0.83 CDK8 (0.47) CDK8KDM4ENPSR1CHEK1ABL1
SCHEMBL18984392 0.82 GRIN2D (0.41) CDK8KDM4EALDH1A1ROCK2
SCHEMBL30452148 0.81 CDK8 (0.46) CDK8KDM4ENPSR1CHEK1ABL1
SCHEMBL20551884 0.81 CDK8 (0.46) CDK8KDM4ENPSR1CHEK1ABL1
SCHEMBL25650901 0.79 CDK8 (0.44) CDK8KDM4ENPSR1CHEK1ABL1
SCHEMBL25613170 0.79 CDK8 (0.44) CDK8KDM4ENPSR1CHEK1ABL1
SCHEMBL31497493 0.78 CHEK1 (0.50) CDK8KDM4ECHEK1ABL1L3MBTL1
SCHEMBL28139173 0.78 CHEK1 (0.50) CDK8KDM4ECHEK1ABL1L3MBTL1
SCHEMBL16506119 0.74 KDM4E (0.41) CDK8KDM4EPKMRCE1NPSR1
SCHEMBL4792436 0.73 CDK8 (0.47) CDK8KDM4ECHEK1ALDH1A1L3MBTL1

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
WO-2025069270-A1 AZAINDOLE COMPOUND AND MEDICINE 日本新薬株式会社 2025-04-03 — — WO disclosed
WO-2025070627-A1 AZAINDOLE COMPOUND AND MEDICAL DRUG 日本新薬株式会社 2025-04-03 — — WO disclosed
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