SCHEMBL20069729

SCHEMBL20069729

CCN1CC2CC(C1)N2C(=O)C(CN)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.46
DPP4 P27487 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CACNA1B Q00975 2/20 0.35
RECQL P46063 1/20 0.35
DPP8 Q6V1X1 2/20 0.35
KCNH2 Q12809 1/20 0.35
DPP9 Q86TI2 1/20 0.35

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
SCHEMBL20154582 0.89 RET (0.47) RETDPP4DPP7ALDH1A1CYP1A2
SCHEMBL22030577 0.87 RET (0.47) RETDPP4DPP7ALDH1A1CYP1A2
SCHEMBL20069727 0.86 RET (0.44) RETDPP4DPP7ALDH1A1CYP1A2
SCHEMBL20153142 0.83 RET (0.41) RETDPP4DPP7ALDH1A1CYP1A2
SCHEMBL20160504 0.81 RET (0.46) RETALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL20069728 0.74 RET (0.48) RETDPP4DPP7ALDH1A1CYP1A2
SCHEMBL20152348 0.72 RET (0.45) RETDPP4DPP7ALDH1A1CYP1A2
SCHEMBL21158895 0.71 RET (0.45) RETDPP4DPP7ALDH1A1CYP1A2
SCHEMBL22030851 0.71 RET (0.44) RETDPP4DPP7ALDH1A1CYP1A2
SCHEMBL21159093 0.70 CHRM1 (0.52) ALDH1A1CACNA1B

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
WO-2018071447-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed