SCHEMBL4011647

SCHEMBL4011647

Cc1ccc(NC(=O)Nc2cc(CN3CCC(N(C)C(=O)C(C)C)C3)ccc2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.40
DRD2 P14416 1/20 0.39
ADRA1A P35348 1/20 0.39
THRB P10828 1/20 0.38
GALR3 O60755 1/20 0.38
RAB9A P51151 1/20 0.38
PDGFRB P09619 2/20 0.37
KDR P35968 2/20 0.37
MELK Q14680 1/20 0.37
S1PR1 P21453 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL399042 1.00 CCR3 (0.40) CCR3DRD2ADRA1ATHRBGALR3
SCHEMBL398795 1.00 CCR3 (0.40) CCR3DRD2ADRA1ATHRBGALR3
SCHEMBL399032 0.95 KMT2A (0.41) CCR3RAB9AMEN1KMT2A
SCHEMBL544986 0.95 KMT2A (0.41) CCR3RAB9AMEN1KMT2A
SCHEMBL4012403 0.95 KMT2A (0.41) CCR3RAB9AMEN1KMT2A
SCHEMBL402485 0.95 CCR3 (0.43) CCR3DRD2ADRA1ATHRBGALR3
SCHEMBL4002497 0.91 JAK2 (0.43) CCR3THRBGALR3RAB9APDGFRB
SCHEMBL400960 0.91 JAK2 (0.43) CCR3THRBGALR3RAB9APDGFRB
SCHEMBL398992 0.91 JAK2 (0.43) CCR3THRBGALR3RAB9APDGFRB
SCHEMBL400464 0.90 CCR3 (0.39) CCR3DRD2ADRA1AGALR3RAB9A

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 claimed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 EP claimed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO claimed
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