SCHEMBL7134709

SCHEMBL7134709

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.56
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
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
RIPK3 Q9Y572 1/20 0.41
SRC P12931 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
GRM5 P41594 1/20 0.40

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
SCHEMBL6177634 0.88 MAPK14 (0.49) MAPK14RAB9AEGFRRAF1ADORA3
SCHEMBL4343331 0.88 MAPK14 (0.71) MAPK14KDM4ECSNK1DCSNK1EEGFR
SCHEMBL6179169 0.86 MAPK14 (0.63) MAPK14KDM4ECSNK1DCSNK1EGRM5
SCHEMBL6176832 0.86 MAPK14 (0.63) MAPK14KDM4ECSNK1DCSNK1EGRM5
SCHEMBL4329813 0.86 MAPK14 (0.56) MAPK14RAB9AKDM4ECSNK1DCSNK1E
SCHEMBL6178426 0.86 MAPK14 (0.56) MAPK14KDM4ECSNK1DCSNK1EEGFR
SCHEMBL4329196 0.85 MAPK14 (0.55) MAPK14KDM4ECSNK1DCSNK1EEGFR
SCHEMBL6179743 0.85 MAPK14 (0.55) MAPK14KDM4ECSNK1DCSNK1EEGFR
SCHEMBL4338017 0.85 MAPK14 (0.55) MAPK14RAB9AKDM4ECSNK1DCSNK1E
SCHEMBL4335755 0.85 MAPK14 (0.54) MAPK14KDM4ECSNK1DCSNK1EEGFR

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
US-6511997-B1 For treatment of a disease associated with tumor necrosis factor alpha, interleukin 1, interleukin 6 or cyclooxygenase II; such as irritable bowel disease TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-01-28 US disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed