SCHEMBL16730867

SCHEMBL16730867

CCC1(F)CC(CC#N)C1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8321679 0.79 DPP4 (0.33) ALDH1A1TDP1
SCHEMBL2306469 0.78
SCHEMBL26504287 0.72
SCHEMBL16718789 0.70 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL13450932 0.70 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL18176121 0.69
SCHEMBL21388025 0.69 NOS3 (0.31)
SCHEMBL25706456 0.68 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL16730614 0.67
SCHEMBL30314438 0.67 APLNR (0.34)

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-2015073763-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 WO disclosed