SCHEMBL31338639

SCHEMBL31338639

Cc1nc(=O)c2ccncc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.49
▸ KDM5A P29375 6/20 0.47
▸ CHUK O15111 5/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GABRP O00591 1/20 0.46
▸ GABRD O14764 1/20 0.46
▸ IKBKB O14920 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ TOP1 P11387 1/20 0.46
▸ GABRA1 P14867 1/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ GABRB1 P18505 1/20 0.46
▸ GABRG2 P18507 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ GABRB3 P28472 1/20 0.46
▸ GABRA5 P31644 1/20 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
SCHEMBL16096070 0.80 PARP1 (0.50) PARP1KDM5ACHUKKDM4EGABRP
SCHEMBL27126349 0.78 PARP1 (0.45) PARP1KDM5ACHUKKDM4EGABRP
SCHEMBL27126276 0.78 KDM5A (0.52) PARP1KDM5ACHUKKDM4EGABRP
SCHEMBL15775358 0.78 AURKA (0.46) PARP1KDM5AKDM4EAURKAALDH1A1
SCHEMBL1590490 0.76 ALDH1A1 (0.61) PARP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9705784 0.73 KDM4C (0.51) PARP1KDM5AADORA3ADORA2AADORA1
SCHEMBL879284 0.73 ALDH1A1 (0.50) KDM4EAURKAALDH1A1HPGDSMN1; SMN2
SCHEMBL19984551 0.73 KDM5A (0.67) PARP1KDM5ACHUKKDM4EGABRP
SCHEMBL7600126 0.73 KIF11 (0.47) GABRPGABRDALDH1A1GABRA1GABRB1
SCHEMBL30474111 0.73 KDM5A (0.67) PARP1KDM5ACHUKKDM4EGABRP

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
CN-119020116-A Semiconductor chip cleaning liquid for inhibiting copper-cobalt galvanic corrosion, preparation method and application thereof 浙江奥首材料科技有限公司 2024-11-26 — — CN disclosed
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