SCHEMBL20006440

SCHEMBL20006440

Cc1ncncc1NC(=O)c1ccc(N2NC(C(F)(F)F)C=C2C2CC2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 6/20 0.47
ABL1 P00519 4/20 0.41
VCP P55072 1/20 0.36
DHODH Q02127 1/20 0.35
EGFR P00533 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC2 Q92769 2/20 0.34
BTK Q06187 1/20 0.34
HDAC1 Q13547 1/20 0.34
KDR P35968 1/20 0.33

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
SCHEMBL1667987 0.76 CRACR2A (0.77) CRACR2A
SCHEMBL12638237 0.76 CRACR2A (0.61) CRACR2ADHODH
SCHEMBL31703904 0.64 TRPV1 (0.43) CRACR2AEGFR
SCHEMBL1882816 0.64 CRACR2A (1.00) CRACR2A
SCHEMBL1670537 0.59 CRACR2A (1.00) CRACR2A
SCHEMBL12638178 0.59 CRACR2A (0.71) CRACR2A
SCHEMBL12638092 0.58 CRACR2A (0.85) CRACR2A
SCHEMBL12638111 0.58 CRACR2A (0.60) CRACR2A
SCHEMBL1881673 0.57 CRACR2A (0.78) CRACR2A
SCHEMBL1884926 0.57 CRACR2A (1.00) 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