SCHEMBL28383350

SCHEMBL28383350

C=CC(=O)Nc1ccnc(-c2cccc3cnc(Nc4ccc([C@H]5OCCNC5CN)cc4)nc23)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.48
▸ FGFR2 P21802 3/20 0.45
▸ JAK2 O60674 2/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ BTK Q06187 2/20 0.39
▸ FGFR1 P11362 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ ITK Q08881 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
SCHEMBL28384114 1.00 EGFR (0.48) EGFRFGFR2JAK2JAK1TYK2
SCHEMBL28383351 1.00 EGFR (0.48) EGFRFGFR2JAK2JAK1TYK2
SCHEMBL28387955 0.92 EGFR (0.46) EGFRFGFR2JAK2JAK1TYK2
SCHEMBL28383438 0.92 EGFR (0.46) EGFRFGFR2JAK2JAK1TYK2
SCHEMBL28383439 0.92 EGFR (0.46) EGFRFGFR2JAK2JAK1TYK2
SCHEMBL28382417 0.90 EGFR (0.60) EGFRFGFR2JAK2JAK1TYK2
SCHEMBL28382418 0.90 EGFR (0.60) EGFRFGFR2JAK2JAK1TYK2
SCHEMBL28394153 0.90 EGFR (0.60) EGFRFGFR2JAK2JAK1TYK2
SCHEMBL28384241 0.90 JAK3 (0.46) EGFRJAK3
SCHEMBL28388424 0.90 JAK3 (0.46) EGFRJAK3

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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