SCHEMBL20006306

SCHEMBL20006306

CNc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 15/20 0.61
ORAI1 Q96D31 4/20 0.57
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51

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
SCHEMBL20006257 0.82 CRACR2A (0.64) CRACR2AORAI1
SCHEMBL20006307 0.82 CRACR2A (0.66) CRACR2AORAI1
SCHEMBL1667944 0.82 CRACR2A (0.56) CRACR2AORAI1PTGS2
SCHEMBL1880912 0.82 CRACR2A (0.56) CRACR2AORAI1PTGS1PTGS2
SCHEMBL626659 0.82 CRACR2A (0.56) CRACR2AORAI1PTGS1PTGS2
SCHEMBL20006304 0.81 CRACR2A (0.53) CRACR2AORAI1PTGS1PTGS2
SCHEMBL30096524 0.81 ORAI1 (0.71) CRACR2AORAI1
SCHEMBL20006441 0.80 CRACR2A (0.58) CRACR2AORAI1
SCHEMBL20080531 0.80 CRACR2A (0.60) CRACR2A
SCHEMBL28236668 0.79 PTGS2 (0.56) ORAI1PTGS1PTGS2

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 3 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-2509974-B1 PYRAZOLES DERIVATIVES MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER RHIZEN PHARMACEUTICALS S A (CH) 2018-04-11 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