SCHEMBL28523293

SCHEMBL28523293

Cc1cc(-c2cnc3ccn(C(=O)OC(C)(C)C)c3c2)ccc1F

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 20/20 0.61
▸ GRIN1 Q05586 5/20 0.56
▸ KCNH2 Q12809 3/20 0.56
▸ CYP2C9 P11712 3/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53

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
SCHEMBL25909811 0.78 HSP90AA1 (0.41) GRIN2B
SCHEMBL18363279 0.76 GRIN2B (1.00) GRIN2BGRIN1KCNH2CYP2C9CYP2C19
SCHEMBL31194282 0.76 GABRG2 (0.39) GRIN2BGRIN1
SCHEMBL20483115 0.75 KDM4E (0.39) GRIN2B
SCHEMBL18363208 0.74 GRIN2B (1.00) GRIN2BGRIN1KCNH2CYP2C9CYP2C19
SCHEMBL25229548 0.74 ALDH1A1 (0.41) —
SCHEMBL31194316 0.74 MET (0.43) GRIN2BGRIN1
SCHEMBL20398324 0.74 GRIN2B (0.73) GRIN2BGRIN1KCNH2CYP2C9CYP2C19
SCHEMBL28523558 0.73 GRIN2B (0.77) GRIN2BGRIN1KCNH2CYP2C9CYP2C19
SCHEMBL18363435 0.72 GRIN2B (1.00) GRIN2BGRIN1KCNH2CYP2C9CYP2C19

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
CN-108026094-B Substituted 4-azaindoles and their use as modulators of the GLUN2B receptor 詹森药业有限公司 2021-02-09 — — CN disclosed
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