SCHEMBL21090970

SCHEMBL21090970

Cc1c(-c2cnccn2)cccc1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP1 O94782 4/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX5AP P20292 3/20 0.37
FEN1 P39748 3/20 0.37
DCTPP1 Q9H773 1/20 0.36
WDR48 Q8TAF3 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1D P25100 1/20 0.35
P2RX7 Q99572 3/20 0.35
LIMK1 P53667 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34

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
SCHEMBL30287137 0.86 USP1 (0.44) USP1ALOX5APFEN1DCTPP1WDR48
SCHEMBL4481266 0.86 USP1 (0.44) USP1ALOX5APFEN1DCTPP1WDR48
SCHEMBL20150112 0.81 TYK2 (0.39) USP1ALOX5APFEN1WDR48ADRA1A
SCHEMBL18367724 0.81 KDM4E (0.43) CYP1A2MAPK1EDNRA
SCHEMBL6527857 0.81 DCTPP1 (0.45) CYP1A2ALOX5APFEN1DCTPP1ADRA1A
SCHEMBL28129242 0.79 DCTPP1 (0.41) CYP1A2ALOX5APFEN1DCTPP1ADRA1A
SCHEMBL18367721 0.77 CYP2A6 (0.46) USP1CYP1A2WDR48
SCHEMBL19980775 0.77 DCTPP1 (0.48) CYP1A2ALOX5APFEN1DCTPP1ADRA1A
SCHEMBL17194971 0.75 P2RX7 (0.41) CYP1A2ALOX5APFEN1DCTPP1ADRA1A
SCHEMBL21091001 0.75 GABRA1 (0.39) USP1CYP1A2ALOX5APFEN1WDR48

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-3495358-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES Bristol-Myers Squibb Company (US) 2019-06-12 EP disclosed