SCHEMBL20006257

SCHEMBL20006257

CNc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 19/20 0.64
ORAI1 Q96D31 1/20 0.45

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
SCHEMBL20080531 0.84 CRACR2A (0.60) CRACR2A
SCHEMBL20006306 0.82 CRACR2A (0.61) CRACR2AORAI1
SCHEMBL20006573 0.82 CRACR2A (0.59) CRACR2A
SCHEMBL1667988 0.81 CRACR2A (0.56) CRACR2AORAI1
SCHEMBL30677053 0.81 CRACR2A (0.56) CRACR2AORAI1
SCHEMBL1882038 0.80 CRACR2A (0.69) CRACR2AORAI1
SCHEMBL1668340 0.79 CRACR2A (1.00) CRACR2AORAI1
SCHEMBL20006293 0.79 CRACR2A (0.81) CRACR2A
SCHEMBL1668276 0.79 CRACR2A (1.00) CRACR2A
SCHEMBL20006307 0.78 CRACR2A (0.66) CRACR2AORAI1

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-2509955-B1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS S A (CH) 2018-04-25 EP disclosed
EP-3299361-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL Rhizen Pharmaceuticals S.A. (CH) 2018-03-28 EP disclosed