SCHEMBL20049966

SCHEMBL20049966

C=C(C)N(C)c1ncc(-c2ccc(F)c(F)c2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 19/20 0.43
▸ GRIN1 Q05586 5/20 0.40
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL20049788 0.93 GRIN2B (0.44) GRIN2BGRIN1KCNH2
SCHEMBL25589007 0.87 GRIN2B (0.43) GRIN2BGRIN1
SCHEMBL20049829 0.86 GRIN2B (0.41) GRIN2BGRIN1KCNH2
SCHEMBL25584017 0.84 GRIN2B (0.40) GRIN2BPDGFRBPDGFRA
SCHEMBL20049772 0.83 GRIN2B (0.45) GRIN2BGRIN1PDGFRBPDGFRAKCNH2
SCHEMBL25587712 0.82 GRIN2B (0.40) GRIN2BGRIN1
SCHEMBL25587638 0.80 ESR2 (0.46) GRIN2BGRIN1
SCHEMBL20049864 0.80 GRIN2B (0.49) GRIN2BGRIN1KCNH2
SCHEMBL25587614 0.80 GRIN2B (0.42) GRIN2BGRIN1
SCHEMBL20049785 0.78 GPBAR1 (0.39) 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 2 patents. 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
WO-2018067786-A1 SUBSTITUTED 1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-12 — — WO disclosed
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