SCHEMBL31458919

SCHEMBL31458919

Cc1noc(COc2ccc3c(C#N)cnn3c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ RET P07949 2/20 0.49
▸ GSTP1 P09211 4/20 0.40
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ GAA P10253 1/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL31044666 0.78 RET (0.46) SMN1; SMN2HSD17B10RETTSHRL3MBTL1
SCHEMBL29566683 0.77 RET (0.45) RET
Hydrochloric Acid SCHEMBL28993707 0.76 RET (0.44) RET
SCHEMBL30725889 0.75 MAOB (0.52) CYP2C19RET
SCHEMBL30175294 0.74 RET (0.43) RETALDH1A1L3MBTL1KDM4E
SCHEMBL30175335 0.74 RET (0.37) SMN1; SMN2RETALDH1A1KDM4EGLA
SCHEMBL25252185 0.74 CDK2 (0.36) SMN1; SMN2RETALDH1A1KDM4EGLA
SCHEMBL30175370 0.74 CDK2 (0.36) SMN1; SMN2HSD17B10RETGAAALDH1A1
SCHEMBL30175367 0.73 RET (0.48) RET
SCHEMBL30175340 0.73 RET (0.43) RET

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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