SCHEMBL20006447

SCHEMBL20006447

Cc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)c(C)c2C2CC2)c(F)c1

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 13/20 0.84
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
TRPC3 Q13507 1/20 0.45
ORAI1 Q96D31 1/20 0.45
TRPC5 Q9UL62 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL1885517 0.91 CRACR2A (1.00) CRACR2AKMT2ANPC1TRPC3ORAI1
SCHEMBL12638101 0.87 CRACR2A (0.87) CRACR2AKMT2ANPC1TRPC3ORAI1
SCHEMBL1668804 0.84 CRACR2A (0.80) CRACR2AKMT2ANPC1TRPC3ORAI1
SCHEMBL12638058 0.83 CRACR2A (0.84) CRACR2AKMT2ANPC1
SCHEMBL1668163 0.83 CRACR2A (1.00) CRACR2AORAI1
SCHEMBL1668602 0.80 CRACR2A (1.00) CRACR2ATRPC3ORAI1TRPC5
SCHEMBL20006585 0.71 CRACR2A (0.82) CRACR2ATRPC3ORAI1TRPC5
SCHEMBL12637950 0.70 CRACR2A (0.83) CRACR2AKMT2ATRPC3ORAI1TRPC5
SCHEMBL1668056 0.69 CRACR2A (1.00) CRACR2ATRPC3ORAI1TRPC5LMNA
SCHEMBL14442458 0.69 POLB (0.62) CRACR2AKMT2ANPC1MEN1LMNA

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