SCHEMBL6910047

SCHEMBL6910047

Cc1ccc(-n2nc(C3CC3)cc2C2CC2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 18/20 0.55
ORAI1 Q96D31 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL1668293 0.83 CRACR2A (0.55) CRACR2AORAI1
SCHEMBL20006241 0.82 CRACR2A (0.64) CRACR2AORAI1
SCHEMBL1667856 0.78 CRACR2A (0.53) CRACR2AORAI1
SCHEMBL1876778 0.73 CRACR2A (0.78) CRACR2AORAI1
SCHEMBL6888028 0.72 CRACR2A (0.72) CRACR2AORAI1
SCHEMBL1671515 0.71 CRACR2A (1.00) CRACR2AORAI1
SCHEMBL1882323 0.71 CRACR2A (0.80) CRACR2AORAI1
SCHEMBL1669026 0.71 CRACR2A (0.46) CRACR2AORAI1
SCHEMBL1669027 0.71 CRACR2A (0.71) CRACR2AORAI1
SCHEMBL1668487 0.71 CRACR2A (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011042798-A1 PYRAZOLES DERIVATIVES MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON- SMALL CELL LUNG CANCER INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-04-14 WO disclosed