SCHEMBL21613657

SCHEMBL21613657

C/C=C\c1ncc(-c2ccc(F)c(C(C)(F)F)c2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 16/20 0.45
GRIN1 Q05586 13/20 0.45
KCNH2 Q12809 4/20 0.39
CDK8 P49336 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
SCHEMBL21613535 0.91 GRIN2B (0.41) GRIN2BGRIN1CDK8
SCHEMBL21613471 0.85 GRIN2B (0.43) GRIN2BGRIN1KCNH2
SCHEMBL21613450 0.84 PDGFRB (0.43) GRIN2BGRIN1
SCHEMBL21613454 0.79 GRIN2B (0.42) GRIN2BGRIN1CDK8
SCHEMBL21613456 0.78 PDGFRB (0.40) GRIN2BGRIN1
SCHEMBL21613484 0.75 PDGFRB (0.43) GRIN2BGRIN1
SCHEMBL21613468 0.75 VRK1 (0.38) GRIN2BGRIN1
SCHEMBL21613482 0.74 PDGFRB (0.40)
SCHEMBL21613536 0.74 ABL1 (0.35) GRIN2B
SCHEMBL21613591 0.73 GRIN2B (0.35) GRIN2BGRIN1

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-3319963-B1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-01-08 EP disclosed