SCHEMBL29525049

SCHEMBL29525049

CC(F)(F)c1cc(-c2cnc3cnn(Cc4cncc(Cl)c4)c3c2)ccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 20/20 1.00
▸ GRIN2B Q13224 20/20 1.00

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
SCHEMBL22788270 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL29525026 0.93 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL22774710 0.93 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL22774351 0.91 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL29525068 0.91 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL22788291 0.90 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL29525087 0.90 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL22774309 0.89 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL22774553 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL29525160 0.88 GRIN1 (1.00) GRIN1GRIN2B

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-3982958-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 — — EP claimed
EP-3982958-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 — — EP disclosed
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