SCHEMBL27490656

SCHEMBL27490656

Cc1ccccc1CCC(=O)c1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.48
EGFR P00533 1/20 0.42
RAF1 P04049 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
GSK3B P49841 1/20 0.42
SRC P12931 3/20 0.41
BRAF P15056 3/20 0.41
KDR P35968 3/20 0.41
CSNK1D P48730 2/20 0.40
CSNK1E P49674 2/20 0.40
CSNK1A1 P48729 1/20 0.40
GRM5 P41594 1/20 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
SCHEMBL4336948 0.83 MAPK14 (0.47) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6028673 0.79 MAPK14 (0.52) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4329196 0.77 MAPK14 (0.55) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6028378 0.76 MAPK14 (0.51) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6028850 0.76 MAPK14 (0.48) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6028954 0.74 MAPK3 (0.48) MAPK14
SCHEMBL6029068 0.74 HDAC6 (0.44) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6028826 0.74 MAPK14 (0.43) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6028700 0.74 MAPK14 (0.53) MAPK14CSNK1DCSNK1E
SCHEMBL6028891 0.74 MAPT (0.50) MAPK14

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