SCHEMBL28382401

SCHEMBL28382401

C=CC(=O)Nc1ccnc(-c2cccc3cnc(Nc4cccnc4C4CNCCO4)nc23)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 3/20 0.42
▸ KDR P35968 3/20 0.42
▸ EGFR P00533 5/20 0.42
▸ FGFR2 P21802 3/20 0.40
▸ JAK3 P52333 2/20 0.38
▸ BTK Q06187 1/20 0.38
▸ ITK Q08881 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37

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
SCHEMBL28384166 0.92 JAK3 (0.38) FGFR1KDRJAK3JAK2TYK2
SCHEMBL28387903 0.92 JAK3 (0.38) FGFR1KDRJAK3JAK2TYK2
SCHEMBL28887739 0.91 EGFR (0.52) FGFR1KDREGFRFGFR2JAK3
SCHEMBL28383229 0.91 MAP3K5 (0.36) —
SCHEMBL28388765 0.90 FGFR1 (0.36) FGFR1KDREGFR
SCHEMBL28394086 0.90 FGFR1 (0.36) FGFR1KDREGFR
SCHEMBL28383280 0.89 — —
SCHEMBL28382861 0.88 JAK3 (0.35) EGFRJAK3BTKITKJAK2
SCHEMBL28382355 0.88 PIM1 (0.34) —
SCHEMBL28385501 0.88 EGFR (0.48) EGFRFGFR2

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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