SCHEMBL18699715

SCHEMBL18699715

CCc1ncc(C=O)cc1CC(=O)Nc1ccc(C#N)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.44
▸ FGFR4 P22455 10/20 0.41
▸ HCRTR1 O43613 3/20 0.41
▸ HCRTR2 O43614 3/20 0.41
▸ TMPRSS4 Q9NRS4 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CACNA1G O43497 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.39
▸ PORCN Q9H237 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL18699862 0.88 USP30 (0.44) USP30FGFR4HCRTR1HCRTR2TMPRSS4
SCHEMBL18699770 0.84 WNT3A (0.41) FGFR4
SCHEMBL18699697 0.81 NLRP3 (0.41) —
SCHEMBL18699685 0.80 GAA (0.49) MEN1KMT2A
SCHEMBL30071320 0.75 USP30 (0.54) USP30HCRTR1HCRTR2TMPRSS4MEN1
SCHEMBL18838871 0.75 USP30 (0.54) USP30HCRTR1HCRTR2TMPRSS4MEN1
SCHEMBL18838878 0.72 SMN1; SMN2 (0.54) USP30TMPRSS4MEN1KMT2A
SCHEMBL21589400 0.70 USP30 (0.54) USP30HCRTR1HCRTR2TMPRSS4MEN1
SCHEMBL1428781 0.70 USP30 (0.54) USP30TMPRSS4MEN1KMT2APORCN
SCHEMBL14774917 0.69 EGFR (0.48) USP30HCRTR1HCRTR2TMPRSS4MEN1

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
EP-2846801-B1 PYRIDINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-04-05 — — EP disclosed
Send feedback