SCHEMBL31070350

SCHEMBL31070350

COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCN(C4CCNCC4)CC3)c3ncnc(N)c23)cc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.81
▸ BTK Q06187 12/20 0.81

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
SCHEMBL24734952 0.96 EGFR (0.88) EGFRBTK
SCHEMBL29841448 0.96 EGFR (0.88) EGFRBTK
SCHEMBL24734993 0.92 EGFR (0.83) EGFRBTK
SCHEMBL24734999 0.92 EGFR (0.83) EGFRBTK
SCHEMBL29841271 0.92 EGFR (0.83) EGFRBTK
SCHEMBL31113554 0.90 EGFR (0.76) EGFRBTK
SCHEMBL24735293 0.90 EGFR (0.88) EGFRBTK
SCHEMBL18665608 0.90 EGFR (1.00) EGFRBTK
SCHEMBL24735215 0.90 EGFR (0.86) EGFRBTK
SCHEMBL29841335 0.90 EGFR (0.86) EGFRBTK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024169871-A1 BTK INHIBITOR AND USE THEREOF 江苏威凯尔医药科技有限公司 2024-08-22 — — WO disclosed
CN-118515673-A BTK inhibitor and application thereof 江苏威凯尔医药科技有限公司 2024-08-20 — — CN disclosed
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