SCHEMBL20041782

SCHEMBL20041782

C=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1)c1ccc2nccnc2c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 7/20 0.59
CRACR2A Q9BSW2 13/20 0.57

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
SCHEMBL1898219 0.88 ORAI1 (0.76) ORAI1CRACR2A
SCHEMBL12661308 0.76 ORAI1 (0.74) ORAI1CRACR2A
SCHEMBL20006292 0.76 CRACR2A (0.60) ORAI1CRACR2A
SCHEMBL1666597 0.76 ORAI1 (0.77) ORAI1CRACR2A
SCHEMBL30096552 0.76 ORAI1 (0.77) ORAI1CRACR2A
Hydrochloric Acid SCHEMBL1897438 0.75 ORAI1 (0.76) ORAI1CRACR2A
SCHEMBL1896617 0.75 CRACR2A (0.64) ORAI1CRACR2A
SCHEMBL30096564 0.75 CRACR2A (0.64) ORAI1CRACR2A
SCHEMBL1668139 0.74 ORAI1 (1.00) ORAI1CRACR2A
SCHEMBL1666724 0.73 ORAI1 (0.75) ORAI1CRACR2A

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-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