SCHEMBL28388175

SCHEMBL28388175

CC(=O)Nc1cccc(-c2cccc3cnc(Nc4cccnc4C4CNCCO4)nc23)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 2/20 0.43
▸ EGFR P00533 4/20 0.42
▸ FGFR1 P11362 3/20 0.42
▸ KDR P35968 3/20 0.42
▸ FGFR2 P21802 3/20 0.39
▸ MAP3K5 Q99683 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ BRD4 O60885 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
SCHEMBL28383448 0.93 EGFR (0.42) MAP4K1EGFRFGFR1KDRFGFR2
SCHEMBL28384578 0.91 FGFR1 (0.45) MAP4K1EGFRFGFR1KDRFGFR2
SCHEMBL28384456 0.91 FGFR1 (0.45) MAP4K1EGFRFGFR1KDRFGFR2
SCHEMBL28388469 0.91 FGFR1 (0.44) EGFRFGFR1KDRFGFR2JAK2
SCHEMBL28385510 0.91 FGFR1 (0.44) EGFRFGFR1KDRFGFR2JAK2
SCHEMBL28887739 0.90 EGFR (0.52) EGFRFGFR1KDRFGFR2JAK2
SCHEMBL28383229 0.90 MAP3K5 (0.36) MAP4K1MAP3K5
SCHEMBL28382516 0.87 MAPK8 (0.43) EGFRFGFR1KDRFGFR2
SCHEMBL28382390 0.86 EGFR (0.49) EGFR
SCHEMBL28070382 0.85 TTK (0.45) —

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 4 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-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
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