SCHEMBL27474439

SCHEMBL27474439

O=C(c1ccccc1)n1nc(-c2ccccc2)cc1Nc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.68
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ GRM5 P41594 5/20 0.49
▸ CCNA2 P20248 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 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
SCHEMBL6562420 0.84 GRM5 (0.68) GRM5
SCHEMBL2569658 0.80 F2 (0.60) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2551230 0.76 KLK3 (0.52) MAPTSMN1; SMN2KMT2AGRM5ELANE
SCHEMBL2562097 0.76 KLKB1 (0.57) MAPTCDK2
SCHEMBL2569195 0.75 F2 (0.47) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2568165 0.75 F2 (0.60) MAPTSMN1; SMN2MEN1KMT2AGRM5
SCHEMBL2564845 0.75 F2 (0.49) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2563531 0.75 F2 (0.59) MAPTNPC1RAB9AGRM5POLB
SCHEMBL2569541 0.75 F2 (0.52) MAPTRAB9AMEN1KMT2AGRM5
SCHEMBL2555846 0.75 F2 (0.57) MAPTRAB9AMEN1KMT2ATP53

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-1165482-A Pyrazole pharmaceutical compositions as protein kinase inhibitors COR THERAPEUTICS INC (US) 1997-11-19 — — CN disclosed
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