SCHEMBL113847

SCHEMBL113847

COc1ncc2[nH]ccc2c1-c1ccccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 12/20 0.41
PRKCD Q05655 10/20 0.41
DRD1 P21728 1/20 0.40
LYN P07948 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
PTGES O14684 1/20 0.36
KDM1A O60341 1/20 0.35
TRPA1 O75762 1/20 0.34
FGFR3 P22607 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
SCHEMBL3726444 0.72 PRKCQ (0.46) PRKCQPRKCDTRPA1
SCHEMBL113504 0.70 BRD4 (0.39) PRKCQPRKCDDRD1TRPA1
SCHEMBL30326312 0.70 MKNK1 (0.36) PRKCQPRKCDDRD1LYNL3MBTL1
SCHEMBL7096071 0.68 IMPDH2 (0.49) PRKCQPRKCDTRPA1
SCHEMBL13075464 0.68 BRD4 (0.39) DRD1TRPA1
SCHEMBL1516621 0.68 CSNK1D (0.50) PRKCQPRKCDLYN
SCHEMBL20282675 0.66 POLB (0.54) L3MBTL1
SCHEMBL10125110 0.66 LRRK2 (0.58) PRKCQPRKCD
SCHEMBL10472465 0.65 L3MBTL1 (0.42) L3MBTL1
SCHEMBL1883357 0.62 GRIA1 (0.51) L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424843-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES Novartis AG (CH) 2012-03-07 EP claimed
WO-2010125402-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2010-11-04 WO claimed