SCHEMBL4783017

SCHEMBL4783017

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-c2ccc(C(=O)NC3CCCC3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.41
CNR2 P34972 5/20 0.41
CNR1 P21554 4/20 0.41
KIT P10721 1/20 0.41
RAF1 P04049 2/20 0.39
BRAF P15056 2/20 0.39
ABHD6 Q9BV23 1/20 0.39
TACR2 P21452 1/20 0.39
TACR1 P25103 1/20 0.39
FYN P06241 1/20 0.39
ABL1 P00519 1/20 0.39
RET P07949 1/20 0.38
TRPV1 Q8NER1 2/20 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
SCHEMBL4727320 0.99 CNR2 (0.42) MAPK14CNR2CNR1KITRAF1
SCHEMBL4725924 0.97 MAPK14 (0.43) MAPK14CNR2CNR1RAF1BRAF
SCHEMBL4730967 0.93 RAF1 (0.44) MAPK14RAF1BRAF
SCHEMBL4726017 0.93 CCNT1 (0.41) MAPK14RAF1BRAFRET
SCHEMBL4729211 0.92 MAPK14 (0.40) MAPK14RAF1BRAFRET
SCHEMBL4728315 0.89 MAPK14 (0.38) MAPK14RAF1BRAFTRPV1
SCHEMBL4728370 0.87 MAPK14 (0.45) MAPK14RAF1BRAFTRPV1
SCHEMBL4727823 0.87 MAPK14 (0.45) MAPK14RAF1BRAFTRPV1
SCHEMBL4730324 0.87 MAPK14 (0.42) MAPK14RAF1BRAFTRPV1
SCHEMBL4730327 0.87 RAF1 (0.41) MAPK14RAF1BRAFTRPV1

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed