SCHEMBL31458801

SCHEMBL31458801

N#Cc1cnn2cc(OCc3cccnc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 8/20 0.46
▸ CYP11B1 P15538 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CYP11B2 P19099 2/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GPR132 Q9UNW8 1/20 0.38

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
SCHEMBL30725889 0.88 MAOB (0.52) RETCYP19A1MAOB
SCHEMBL29566683 0.77 RET (0.45) RET
SCHEMBL30175370 0.77 CDK2 (0.36) RETKDM4EALDH1A1GAAHPGD
SCHEMBL25252185 0.77 CDK2 (0.36) RETKDM4EALDH1A1
SCHEMBL31044666 0.76 RET (0.46) RETCYP19A1HSD17B10
Hydrochloric Acid SCHEMBL28993707 0.76 RET (0.44) RET
SCHEMBL30175294 0.75 RET (0.43) RETKDM4EALDH1A1HPGDHTT
SCHEMBL30175296 0.75 RET (0.45) RET
SCHEMBL30175349 0.75 CYP11B1 (0.41) RETCYP11B1CYP11B2
SCHEMBL30175335 0.75 RET (0.37) RETKDM4EALDH1A1

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-114163437-B Substituted pyrazolo [1,5-a ] pyridine compounds as RET kinase inhibitors 阿雷生物药品公司 2025-03-04 — — CN disclosed
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