SCHEMBL5818906

SCHEMBL5818906

OC1(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)s2)CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.51
MAPK9 P45984 2/20 0.51
EGFR P00533 1/20 0.51
RAF1 P04049 1/20 0.51
ERBB2 P04626 1/20 0.51
KDR P35968 1/20 0.51
KCNH2 Q12809 6/20 0.50
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
MAPK1 P28482 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CLK2 P49760 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CSNK1G2 P78368 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
MINK1 Q8N4C8 1/20 0.47
AURKB Q96GD4 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47
HIPK2 Q9H2X6 1/20 0.47

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
SCHEMBL5814867 0.96 KCNH2 (0.51) MAPK8MAPK9KCNH2PRKD3MAP4K4
SCHEMBL5814974 0.90 BRAF (0.47) MAPK8MAPK9EGFRRAF1ERBB2
SCHEMBL5814640 0.89 BRAF (0.47) MAPK8MAPK9EGFRRAF1ERBB2
SCHEMBL5813645 0.89 EIF2AK2 (0.44) MAPK8MAPK9EGFRRAF1ERBB2
SCHEMBL5817804 0.88 EIF2AK2 (0.43) MAPK8MAPK9EGFRRAF1ERBB2
SCHEMBL5818943 0.88 KCNH2 (0.46) EGFRKCNH2
SCHEMBL5818443 0.87 KCNH2 (0.45) EGFRKCNH2
SCHEMBL5815121 0.86 BRAF (0.50) MAPK8MAPK9EGFRRAF1ERBB2
SCHEMBL5816357 0.86 RET (0.39) MAPK8MAPK9EGFRRAF1ERBB2
SCHEMBL5819462 0.85 CDK1 (0.40) MAPK8MAPK9EGFRRAF1ERBB2

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
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO claimed