SCHEMBL4002497

SCHEMBL4002497

CC(=O)N(C)C1CCN(Cc2ccc(F)c(NC(=O)Nc3ccc(C)nc3)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
MAP4K4 O95819 1/20 0.42
CCR3 P51677 7/20 0.42
LTA4H P09960 1/20 0.41
ADRB2 P07550 1/20 0.40
KCNH2 Q12809 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GALR3 O60755 1/20 0.39
VNN1 O95497 1/20 0.39
PDGFRB P09619 2/20 0.38
KDR P35968 2/20 0.38
MELK Q14680 1/20 0.38
THRB P10828 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
SCHEMBL400960 1.00 JAK2 (0.43) JAK2MAP4K4CCR3LTA4HADRB2
SCHEMBL398992 1.00 JAK2 (0.43) JAK2MAP4K4CCR3LTA4HADRB2
SCHEMBL545169 0.95 ADRB2 (0.44) JAK2MAP4K4CCR3ADRB2RAB9A
SCHEMBL4012615 0.95 ADRB2 (0.44) JAK2MAP4K4CCR3ADRB2RAB9A
SCHEMBL545088 0.95 ADRB2 (0.44) JAK2MAP4K4CCR3ADRB2RAB9A
SCHEMBL545115 0.95 KCNH2 (0.45) CCR3KCNH2GPR119RAB9AGALR3
SCHEMBL398550 0.92 RAB9A (0.41) CCR3RAB9ANPC1MAPTPKM
SCHEMBL4006418 0.92 CCR3 (0.41) CCR3LTA4HKCNH2GPR119TP53
SCHEMBL398569 0.92 RAB9A (0.41) CCR3RAB9ANPC1MAPTPKM
SCHEMBL403108 0.92 CCR3 (0.41) CCR3LTA4HKCNH2GPR119TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765327-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2009-06-17 EP disclosed
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 EP disclosed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO disclosed