SCHEMBL29897253

SCHEMBL29897253

C=Cc1nn(C(C)C)c2ccnc(Cl)c12

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RET P07949 19/20 0.39
KDR P35968 4/20 0.37
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL21179014 1.00 RET (0.39) RETKDRRXFP1
SCHEMBL21179100 0.87 RET (0.39) RETKDRRXFP1
SCHEMBL29897206 0.87 RET (0.39) RETKDRRXFP1
SCHEMBL21178935 0.82 RET (0.49) RETKDR
SCHEMBL21178936 0.82 RET (0.49) RETKDR
SCHEMBL29897232 0.82 RET (0.49) RETKDR
SCHEMBL24464378 0.78 RET (0.41) RETKDRRXFP1
SCHEMBL1483040 0.77 RET (0.41) RETKDRRXFP1
SCHEMBL24429585 0.77 RET (0.43) RETKDRRXFP1
SCHEMBL30071117 0.77 RET (0.41) RETKDRRXFP1

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