SCHEMBL28418732

SCHEMBL28418732

C=CC(=O)Nc1ccnc(-c2c(Cl)ccc3cnc(Nc4ccc(C5CNCCO5)nc4)nc23)c1.C=CC(=O)Nc1ccnc(-c2c(Cl)ccc3cnc(Nc4ccc(C5CNCCO5)nc4OC)nc23)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.41
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ JAK3 P52333 1/20 0.39

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
SCHEMBL28416830 0.93 EGFR (0.39) EGFR
SCHEMBL28383332 0.92 — —
SCHEMBL28386199 0.89 EGFR (0.38) EGFRJAK3
SCHEMBL28394013 0.89 EGFR (0.39) EGFR
SCHEMBL28414763 0.87 EGFR (0.43) EGFR
SCHEMBL28384362 0.86 EGFR (0.45) EGFRJAK2JAK3
SCHEMBL28417575 0.85 EGFR (0.41) EGFRJAK3
SCHEMBL28385471 0.85 — —
SCHEMBL28887985 0.85 FGFR1 (0.42) EGFR
SCHEMBL28384393 0.85 SLC6A3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111285813-A Chemical entities, compositions, and methods 润新生物公司 2020-06-16 — — CN disclosed
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