SCHEMBL25587712

SCHEMBL25587712

C=C(C)N(C)c1ncc(-c2cc(F)cc(F)c2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 17/20 0.40
▸ VRK1 Q99986 1/20 0.36
▸ GRIN1 Q05586 2/20 0.35

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
SCHEMBL25584017 0.87 GRIN2B (0.40) GRIN2B
SCHEMBL20049966 0.82 GRIN2B (0.43) GRIN2BGRIN1
SCHEMBL20049785 0.82 GPBAR1 (0.39) GRIN2BGRIN1
SCHEMBL20050012 0.81 GRIN2B (0.42) GRIN2BVRK1GRIN1
SCHEMBL25589007 0.78 GRIN2B (0.43) GRIN2BGRIN1
SCHEMBL25587614 0.77 GRIN2B (0.42) GRIN2BGRIN1
SCHEMBL25584224 0.77 GRIN2B (0.40) GRIN2BGRIN1
SCHEMBL25587627 0.77 GRIN2B (0.46) GRIN2BGRIN1
SCHEMBL25587827 0.76 GRIN2B (0.42) GRIN2BGRIN1
SCHEMBL25583605 0.76 NOS3 (0.39) —

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-3523311-B1 SUBSTITUTED 1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-06-07 — — EP disclosed
Send feedback