SCHEMBL25308939

SCHEMBL25308939

COc1ccc(C#N)cc1-c1cc(C(N)=O)ccn1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 2/20 0.56
▸ KDM1A O60341 3/20 0.47
▸ SCN9A Q15858 4/20 0.43
▸ PLAU P00749 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ CTSA P10619 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ KDM4B O94953 1/20 0.40
▸ KDM5C P41229 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ TNIK Q9UKE5 1/20 0.39

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
SCHEMBL25309480 0.89 KDM4C (0.69) KDM4CKDM1ACTSAKDM5CKDM5B
SCHEMBL26599271 0.79 KDM1A (0.57) KDM4CKDM1APARP1KDM4BKDM5C
SCHEMBL29932915 0.75 HDAC1 (0.58) KDM4CKDM1AMAPK1KDM4BKDM5C
SCHEMBL25306127 0.75 SCN9A (0.47) KDM1ASCN9APLAUCTSAPARP1
SCHEMBL30292668 0.73 IKBKB (0.47) KDM1ASCN9APLAUCTSAMKNK1
SCHEMBL31167842 0.72 POLQ (0.45) KDM1ASCN9APLAU
SCHEMBL30526628 0.72 POLQ (0.45) KDM1ASCN9APLAU
SCHEMBL25307617 0.72 KDM1A (0.40) KDM1ASCN9APLAUCTSA
SCHEMBL11616908 0.72 KDM1A (0.56) KDM1APLAUTNIK
SCHEMBL29932934 0.71 HDAC1 (0.59) KDM4CKDM1AMAPK1KDM4BKDM5C

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-2023134708-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BEIGENE , LTD. (KY) 2023-07-20 — — WO disclosed
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