SCHEMBL25584017

SCHEMBL25584017

C=C(C)N(C)c1ncc(-c2cccc(F)c2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 3/20 0.40
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ ESR2 Q92731 1/20 0.37
▸ CHEK2 O96017 1/20 0.36
▸ FYN P06241 3/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ HPGDS O60760 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ MGAM O43451 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 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
SCHEMBL25587614 0.88 GRIN2B (0.42) GRIN2BMAP4K4FYNEGLN1
SCHEMBL25587712 0.87 GRIN2B (0.40) GRIN2B
SCHEMBL25583745 0.86 GRIN2B (0.45) GRIN2BPDGFRBPDGFRAMAP4K4CHEK2
SCHEMBL25587638 0.85 ESR2 (0.46) GRIN2BMAP4K4ESR2FYNEGLN1
SCHEMBL20049788 0.85 GRIN2B (0.44) GRIN2B
SCHEMBL20049828 0.85 ALDH1A1 (0.51) GRIN2BGAA
SCHEMBL20049966 0.84 GRIN2B (0.43) GRIN2BPDGFRBPDGFRA
SCHEMBL25587774 0.83 MAP4K4 (0.47) GRIN2BPDGFRBPDGFRAMAP4K4ESR2
SCHEMBL25587627 0.82 GRIN2B (0.46) GRIN2B
SCHEMBL20049896 0.81 MKNK1 (0.43) PDGFRBPDGFRAFYNCYP11B2

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
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