SCHEMBL20006577

SCHEMBL20006577

CNc1ccc(-n2nc(C3CC3)cc2C)nc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 14/20 0.46
KCNJ6 P48051 3/20 0.37
KCNJ3 P48549 3/20 0.37
UBE2T Q9NPD8 1/20 0.36
SLC34A1 Q06495 2/20 0.35
KCNJ5 P48544 1/20 0.34

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
SCHEMBL20006573 0.86 CRACR2A (0.59) CRACR2A
SCHEMBL28240593 0.80 UBE2T (0.55) UBE2TSLC34A1
SCHEMBL18171821 0.72 NOTUM (0.40)
SCHEMBL20006257 0.72 CRACR2A (0.64) CRACR2A
SCHEMBL20006441 0.69 CRACR2A (0.58) CRACR2AKCNJ6KCNJ3
SCHEMBL28073516 0.68 CRACR2A (0.53) CRACR2A
SCHEMBL26739745 0.66 GLS (0.36)
SCHEMBL20080575 0.66 CRACR2A (0.58) CRACR2A
SCHEMBL20006247 0.66 CRACR2A (0.55) CRACR2AKCNJ6KCNJ3KCNJ5
SCHEMBL25956087 0.66 PDE10A (0.38) CRACR2A

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