SCHEMBL20006248

SCHEMBL20006248

C=C(C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1)/C(C)=N\C=N/C

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 19/20 0.59
ORAI1 Q96D31 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
SCHEMBL16377407 0.75 CRACR2A (0.58) CRACR2AORAI1
SCHEMBL1670471 0.74 CRACR2A (1.00) CRACR2AORAI1
SCHEMBL20006307 0.74 CRACR2A (0.66) CRACR2AORAI1
SCHEMBL1668221 0.73 CRACR2A (1.00) CRACR2AORAI1
SCHEMBL1668037 0.73 CRACR2A (1.00) CRACR2AORAI1
Hydrochloric Acid SCHEMBL1876603 0.73 CRACR2A (0.98) CRACR2AORAI1
SCHEMBL1670537 0.72 CRACR2A (1.00) CRACR2A
SCHEMBL1668358 0.72 CRACR2A (1.00) CRACR2AORAI1
SCHEMBL1670431 0.71 CRACR2A (1.00) CRACR2AORAI1
SCHEMBL1667974 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
EP-3299361-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL Rhizen Pharmaceuticals S.A. (CH) 2018-03-28 EP disclosed