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SCHEMBL14837460

SCHEMBL14837460

Cc1ccc(NC(=O)Nc2cccc([C@H](C)N3CCN(C(=O)O)C(C(C)(C)C)C3)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 16/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CSF1R P07333 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
SCHEMBL3211931 0.84 ACKR3 (0.51) ACKR3NPSR1MAPK8MAPK10MEN1
SCHEMBL3215386 0.84 ACKR3 (0.51) ACKR3NPSR1MAPK8MAPK10MEN1
SCHEMBL402357 0.79 ACKR3 (0.51) ACKR3NPSR1MEN1NPC1KMT2A
SCHEMBL403312 0.79 ACKR3 (0.51) ACKR3NPSR1MEN1NPC1KMT2A
SCHEMBL29714045 0.79 ACKR3 (0.51) ACKR3NPSR1MEN1NPC1KMT2A
SCHEMBL399882 0.78 ACKR3 (0.49) ACKR3NPSR1MEN1NPC1KMT2A
SCHEMBL4243857 0.78 ACKR3 (0.49) ACKR3NPSR1MEN1NPC1KMT2A
SCHEMBL401043 0.78 ACKR3 (0.51) ACKR3NPSR1MAPK8MAPK10MEN1
SCHEMBL401365 0.77 ACKR3 (0.49) ACKR3NPSR1MEN1NPC1KMT2A
SCHEMBL399132 0.77 ACKR3 (0.49) ACKR3NPSR1MEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1959960-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2013-04-10 — — EP disclosed