SCHEMBL4012401

SCHEMBL4012401

Cc1ccc(NC(=O)Nc2cc(C[C@@]3(N(C)C(=O)C(C)C)CCCNC3)ccc2F)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.36
LIMK1 P53667 1/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
FPR2 P25090 1/20 0.35
MAPK8 P45983 3/20 0.34
MAPK10 P53779 3/20 0.34
PARP1 P09874 3/20 0.34
IDO1 P14902 1/20 0.34
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
MAPK9 P45984 1/20 0.33
CHEK1 O14757 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4012717 1.00 ROCK2 (0.36) ROCK2LIMK1KCNQ3KCNQ2FPR2
SCHEMBL4011643 0.95 ROCK2 (0.36) ROCK2LIMK1KCNQ3KCNQ2FPR2
SCHEMBL5070351 0.95 ROCK2 (0.36) ROCK2LIMK1KCNQ3KCNQ2FPR2
SCHEMBL4012614 0.91 ROCK2 (0.37) ROCK2LIMK1KCNQ3KCNQ2FPR2
SCHEMBL4005899 0.90 KCNQ3 (0.35) ROCK2LIMK1KCNQ3KCNQ2FPR2
SCHEMBL4011639 0.90 NPC1 (0.37) ROCK2LIMK1KCNQ3KCNQ2FPR2
SCHEMBL4003549 0.90 NPC1 (0.37) ROCK2LIMK1KCNQ3KCNQ2FPR2
SCHEMBL4006519 0.87 ROCK2 (0.34) ROCK2LIMK1KCNQ3KCNQ2FPR2
SCHEMBL4009237 0.86 ROCK2 (0.38) ROCK2LIMK1KCNQ3KCNQ2FPR2
SCHEMBL4002494 0.86 ROCK2 (0.38) ROCK2LIMK1KCNQ3KCNQ2FPR2

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