SCHEMBL18166293

SCHEMBL18166293

CCc1nnnn1-c1cc(OC(=O)NC(C)c2ccncc2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.57
P2RX2 Q9UBL9 1/20 0.57
LMNA P02545 1/20 0.36
ROCK1 Q13464 6/20 0.35
ROCK2 O75116 5/20 0.35
PRKG1 Q13976 4/20 0.35
PRKACA P17612 3/20 0.35
RPS6KB1 P23443 3/20 0.35
CDK2 P24941 3/20 0.35
GSK3A P49840 3/20 0.35
GSK3B P49841 3/20 0.35
PRKX P51817 3/20 0.35
PRKCD Q05655 3/20 0.35
PRKG2 Q13237 3/20 0.35
PKN2 Q16513 3/20 0.35
CLK4 Q9HAZ1 3/20 0.35
SGK2 Q9HBY8 3/20 0.35
AKT2 P31751 2/20 0.35
IRAK1 P51617 2/20 0.35
CDK5 Q00535 2/20 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
SCHEMBL18166427 0.91 P2RX3 (0.55) P2RX3P2RX2LMNAROCK1ROCK2
SCHEMBL18166335 0.91 P2RX3 (0.59) P2RX3P2RX2LMNAALDH1A1MEN1
SCHEMBL18166361 0.89 P2RX3 (0.53) P2RX3P2RX2LMNAROCK1ROCK2
SCHEMBL18166319 0.88 P2RX3 (0.53) P2RX3P2RX2LMNAROCK1ROCK2
SCHEMBL18166465 0.88 P2RX3 (0.52) P2RX3P2RX2LMNAROCK1ROCK2
SCHEMBL18036345 0.87 P2RX3 (0.55) P2RX3P2RX2ACACBTP53
SCHEMBL18166424 0.86 P2RX3 (0.54) P2RX3P2RX2LMNAGPR139ACACB
SCHEMBL18166326 0.86 P2RX3 (0.77) P2RX3P2RX2
SCHEMBL18166450 0.86 P2RX3 (0.54) P2RX3P2RX2LMNAALDH1A1TRPV1
SCHEMBL18166267 0.86 P2RX3 (0.77) P2RX3P2RX2

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-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed