SCHEMBL29897239

SCHEMBL29897239

CC(C)n1nc(-c2cc(C3CC3)on2)c2c(N)nccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 20/20 1.00
▸ CYP1A2 P05177 1/20 0.68
▸ HCK P08631 1/20 0.68
▸ FGR P09769 1/20 0.68
▸ RPS6KB1 P23443 1/20 0.68
▸ FLT4 P35916 1/20 0.68
▸ KDR P35968 1/20 0.68
▸ MAP2K2 P36507 1/20 0.68
▸ MAP2K1 Q02750 1/20 0.68
▸ RPS6KA1 Q15418 1/20 0.68

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
SCHEMBL21179082 1.00 RET (1.00) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21179096 0.87 RET (0.77) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL29897217 0.87 RET (0.77) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL18518281 0.81 RET (1.00) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL29572311 0.81 RET (1.00) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21179023 0.80 RET (1.00) RET
SCHEMBL29897240 0.80 RET (1.00) RET
SCHEMBL21179043 0.79 RET (1.00) RET
SCHEMBL21178990 0.79 RET (1.00) RET
SCHEMBL21191266 0.79 RET (1.00) RETCYP1A2HCKFGRRPS6KB1

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-111615514-B Substituted pyrazolo [4,3-C ] pyridine compounds as RET kinase inhibitors 奥瑞生物药品公司 2022-10-11 — — CN disclosed
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