SCHEMBL14879421

SCHEMBL14879421

Cc1cnccc1C(=O)Nc1ccc(-c2[nH]nc(C(F)(F)F)c2C)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.40
CRACR2A Q9BSW2 2/20 0.40
STIM1 Q13586 2/20 0.39
ORAI1 Q96D31 2/20 0.39
TRPC1 P48995 1/20 0.39
TRPC3 Q13507 1/20 0.39
BRAF P15056 3/20 0.39
CSF1R P07333 2/20 0.39
KIT P10721 1/20 0.38
KDR P35968 1/20 0.38
MAPK14 Q16539 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
CYP11B2 P19099 1/20 0.37
SLC2A1 P11166 2/20 0.36

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
SCHEMBL14879483 0.84 PTPRC (0.48)
SCHEMBL14879594 0.83 RAB9A (0.54) CRACR2ABRAFCSF1RKDRMAPK14
SCHEMBL14879545 0.81 POLB (0.43) CSF1RKITKDR
SCHEMBL14879597 0.80 LRRK2 (0.41) BRAFCSF1RKITKDR
SCHEMBL14887327 0.75 STIM1 (0.50) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL14887774 0.72 STIM1 (0.42) P2RX1CRACR2ASTIM1ORAI1TRPC1
SCHEMBL14879458 0.72 MEN1 (0.46) P2RX1L3MBTL1
SCHEMBL16019815 0.71 STIM1 (0.52) P2RX1CRACR2ASTIM1ORAI1TRPC1
SCHEMBL14879607 0.71 NPC1 (0.45) P2RX1
SCHEMBL14879598 0.68 TRPA1 (0.47) P2RX1CRACR2A

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-2768810-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2014-08-27 EP disclosed
WO-2013059666-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-04-25 WO disclosed