SCHEMBL6576866

SCHEMBL6576866

CC1(O)CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Nc3ccc(F)cc3)n2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.71
BRD4 O60885 6/20 0.65
BRDT Q58F21 2/20 0.65
BRD2 P25440 1/20 0.64
BRD3 Q15059 1/20 0.64
MAPK13 O15264 2/20 0.55
EGFR P00533 2/20 0.55
CSNK1D P48730 2/20 0.55
MAPK12 P53778 2/20 0.55
MAPK11 Q15759 2/20 0.55
KDM4E B2RXH2 1/20 0.55
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55
RAF1 P04049 1/20 0.55
CYP1A2 P05177 1/20 0.55
LCK P06239 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
PRKCA P17252 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL6576865 1.00 MAPK14 (0.71) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL24170839 0.92 MAPK14 (0.80) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6579097 0.88 MAPK14 (0.61) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6579102 0.88 MAPK14 (0.61) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6576824 0.88 BRD4 (0.62) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6576610 0.88 BRD4 (0.62) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6579234 0.88 MAPK14 (0.61) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6579405 0.88 BRD4 (0.62) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6576577 0.88 MAPK14 (0.91) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6578912 0.88 MAPK14 (0.91) MAPK14BRD4BRDTBRD2BRD3

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-0961618-B1 5-Pyrimidinyl-4-yl-Imidazole Derivate zur Behandlung von CSBP/RK/p38 vermittelten Erkrankungen SMITHKLINE BEECHAM CORP (US) 2004-08-04 EP claimed
US-6369068-B1 Amino substituted pyrimidine containing compounds SMITHKLINE BEECHAM CORPORATION 2002-04-09 US claimed