SCHEMBL7710186

SCHEMBL7710186

CNC1=NC=CC(CC#N)N1c1nc2ccccc2s1.N#CCC1C=CN=C(NCCc2cnc[nH]2)N1c1nc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.43
ILK Q13418 2/20 0.42
NOX4 Q9NPH5 1/20 0.39
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HRH3 Q9Y5N1 4/20 0.35
CSNK2A1 P68400 1/20 0.33
CYP3A4 P08684 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4199489 0.85 KMT2A (0.37) TDP1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL4192472 0.81 NPC1 (0.46) MAPK10CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL4187924 0.81 RAB9A (0.36) TDP1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL1005758 0.80 MAPK8 (0.46) MAPK10ILKMKNK1MKNK2CYP3A4
SCHEMBL4190183 0.80 MAPT (0.40) CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1
Acetonitrile SCHEMBL7707679 0.80 RAB9A (0.35) TDP1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL4192273 0.80 MAPK9 (0.39) MAPK10ILKTDP1CYP1A2CYP2D6
SCHEMBL4197422 0.79 SMN1; SMN2 (0.41) ILKMKNK1MKNK2TDP1CYP1A2
SCHEMBL4187935 0.79 ILK (0.38) ILKMKNK1MKNK2CYP1A2CYP2D6
SCHEMBL4190281 0.79 ALDH1A1 (0.40) ILKCYP3A4CYP1A2CYP2D6CYP2C19

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-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP claimed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO claimed