SCHEMBL20476405

SCHEMBL20476405

NC(=O)c1ccnc(-c2cc3cc[nH]c3cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5C P41229 3/20 0.51
▸ KDM4B O94953 2/20 0.51
▸ KDM5B Q9UGL1 2/20 0.51
▸ PIM1 P11309 2/20 0.47
▸ CCNT1 O60563 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ CCNC P24863 1/20 0.47
▸ CDK8 P49336 1/20 0.47
▸ CDK7 P50613 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CCNH P51946 1/20 0.47
▸ MNAT1 P51948 1/20 0.47
▸ CDK6 Q00534 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ PRKCI P41743 1/20 0.43
▸ RIPK1 Q13546 1/20 0.43
▸ KDM4C Q9H3R0 3/20 0.43
▸ KDM4A O75164 2/20 0.43
▸ KDM2A Q9Y2K7 2/20 0.43
▸ KDM3A Q9Y4C1 2/20 0.43

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
SCHEMBL20476591 0.89 KDM5C (0.51) KDM5CKDM4BKDM5BPIM1CCNT1
SCHEMBL20476554 0.87 P4HA1 (0.57) KDM5CKDM4BKDM5BHDAC6KDM4C
SCHEMBL20476711 0.83 KDM4E (0.58) KDM5CKDM5BCDK8HDAC6KDM4C
SCHEMBL7038517 0.78 KDM5C (0.69) KDM5CKDM4BKDM5BPIM1KDM4C
SCHEMBL1207795 0.74 HDAC6 (0.48) CCNT1CCND1CCNCCDK8CDK7
Hydrochloric Acid SCHEMBL3831639 0.73 HDAC6 (0.47) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL29018616 0.72 HDAC6 (0.39) HDAC6RIPK1MAOBMAPK1GRM4
SCHEMBL18231524 0.72 KDM5C (0.66) KDM5CKDM4BKDM5BKDM4CKDM4A
SCHEMBL29540009 0.72 F2 (0.68) KDM4EMAOBAR
SCHEMBL27522161 0.72 F2 (0.68) KDM4EMAOBAR

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-2018149986-A1 2-(BICYCLO-HETEROARYL)-ISONICOTINIC DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS ORYZON GENOMICS, S.A. (ES) 2018-08-23 — — WO disclosed
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