SCHEMBL27490296

SCHEMBL27490296

CC(NC(=O)c1n[nH]cc1-c1ccncc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 11/20 0.60
ROCK2 O75116 10/20 0.60
MAPK1 P28482 8/20 0.60
PRKG1 Q13976 5/20 0.60
RPS6KA5 O75582 4/20 0.60
PRKACA P17612 4/20 0.60
RPS6KB1 P23443 4/20 0.60
CDK2 P24941 4/20 0.60
GSK3A P49840 4/20 0.60
GSK3B P49841 4/20 0.60
PRKX P51817 4/20 0.60
PRKCD Q05655 4/20 0.60
PRKG2 Q13237 4/20 0.60
PKN2 Q16513 4/20 0.60
CDC42BPA Q5VT25 4/20 0.60
CLK4 Q9HAZ1 4/20 0.60
SGK2 Q9HBY8 4/20 0.60
AKT1 P31749 3/20 0.60
RPS6KA3 P51812 3/20 0.60
CDK1 P06493 3/20 0.60

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
SCHEMBL1850352 0.81 ROCK1 (0.58) ROCK1ROCK2MAPK1PRKG1RPS6KA5
SCHEMBL1781134 0.79 ROCK2 (0.51) ROCK1ROCK2MAPK1PRKG1RPS6KA5
SCHEMBL1779826 0.79 ROCK2 (0.51) ROCK1ROCK2MAPK1PRKG1RPS6KA5
SCHEMBL3093010 0.75 ROCK1 (1.00) ROCK1ROCK2MAPK1PRKG1RPS6KA5
SCHEMBL3109948 0.75 ROCK1 (1.00) ROCK1ROCK2MAPK1PRKG1RPS6KA5
SCHEMBL1568720 0.74 ROCK2 (0.83) ROCK1ROCK2MAPK1PRKG1RPS6KA5
SCHEMBL949150 0.74 CCNC (0.41) LMNA
SCHEMBL3111975 0.72 ROCK1 (0.75) ROCK1ROCK2MAPK1PRKG1RPS6KA5
SCHEMBL3110154 0.72 ROCK1 (0.75) ROCK1ROCK2MAPK1PRKG1RPS6KA5
SCHEMBL27556134 0.71 HPGD (0.48) ROCK1ROCK2MAPK1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1281604-C Substituted pyrazole compounds TEIKOKU HORMONE MFG CO LTD (JP) 2006-10-25 CN disclosed
CN-1560051-A Substituted pyrazole compounds �۹���ҩ��ʽ���� 2005-01-05 CN disclosed
CN-1178931-C Substituted pyrazole compounds �۹���ҩ��ʽ���� 2004-12-08 CN disclosed
CN-1353704-A Substituted pyrazole compounds TEIKOKU HORMONE MFG CO LTD (JP) 2002-06-12 CN disclosed