SCHEMBL28296963

SCHEMBL28296963

Nc1nc(Nc2cccnc2C2CNCCO2)nc2c(-c3cccc(F)c3)cccc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ CDC7 O00311 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ HIPK2 Q9H2X6 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL28296952 0.88 — —
SCHEMBL28298543 0.88 — —
SCHEMBL28070373 0.86 MAPK10 (0.40) CHEK1KCNH2
SCHEMBL28384210 0.86 — —
SCHEMBL28383498 0.85 KIT (0.35) MAP4K4PIM1HIPK2CLK4
SCHEMBL28383534 0.85 FLT3 (0.35) —
SCHEMBL28383486 0.84 JAK3 (0.44) GSK3B
SCHEMBL28387774 0.83 — —
SCHEMBL28296960 0.82 — —
SCHEMBL28385943 0.82 IKBKB (0.34) PIM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105682661-B Certain chemical entities, compositions, and methods 润新生物公司 2020-03-27 — — CN claimed
CN-109851617-A Chemical entities, composition and method 润新生物公司 2019-06-07 — — CN claimed
CN-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
CN-111285813-A Chemical entities, compositions, and methods 润新生物公司 2020-06-16 — — CN disclosed
CN-105682661-B Certain chemical entities, compositions, and methods 润新生物公司 2020-03-27 — — CN disclosed
CN-109851617-A Chemical entities, composition and method 润新生物公司 2019-06-07 — — CN disclosed
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