SCHEMBL28416830

SCHEMBL28416830

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

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.39
▸ ITK Q08881 2/20 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
SCHEMBL28394013 0.96 EGFR (0.39) EGFR
SCHEMBL28418732 0.93 EGFR (0.41) EGFR
SCHEMBL28385547 0.92 — —
SCHEMBL28420729 0.91 EGFR (0.43) EGFRITK
SCHEMBL28386199 0.89 EGFR (0.38) EGFRITK
SCHEMBL28385580 0.87 FGFR1 (0.46) EGFRITK
SCHEMBL28422007 0.87 EGFR (0.41) EGFR
SCHEMBL28394117 0.86 EGFR (0.43) EGFR
SCHEMBL28417575 0.85 EGFR (0.41) EGFRITK
SCHEMBL28385471 0.85 — —

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
Send feedback