SCHEMBL29487207

SCHEMBL29487207

C=CC(=O)Nc1nc(Nc2ccc(F)c(Cl)c2)c2ccc(OCCCN3CCOCC3)cc2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.66
▸ KDR P35968 2/20 0.66
▸ BRAF P15056 1/20 0.66
▸ ERBB2 P04626 8/20 0.65
▸ BTK Q06187 5/20 0.65
▸ JAK3 P52333 3/20 0.65
▸ KIT P10721 2/20 0.65
▸ SRC P12931 2/20 0.65
▸ ERBB3 P21860 2/20 0.65
▸ ERBB4 Q15303 2/20 0.65
▸ ITK Q08881 2/20 0.65
▸ BMPR1B O00238 1/20 0.65
▸ CIT O14578 1/20 0.65
▸ MAP2K7 O14733 1/20 0.65
▸ GAK O14976 1/20 0.65
▸ EPHB6 O15197 1/20 0.65
▸ MAP3K7 O43318 1/20 0.65
▸ RIPK2 O43353 1/20 0.65
▸ STK17B O94768 1/20 0.65
▸ STK10 O94804 1/20 0.65

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
SCHEMBL2452115 1.00 EGFR (0.66) EGFRKDRBRAFERBB2BTK
SCHEMBL27727371 0.84 EGFR (0.65) EGFRKDRBRAFERBB2BTK
SCHEMBL14127461 0.81 EGFR (0.45) EGFRKDRBRAFERBB2BTK
SCHEMBL1151056 0.81 EGFR (0.82) EGFRKDRBRAFERBB2BTK
Hydrochloric Acid SCHEMBL15565027 0.80 EGFR (0.81) EGFRKDRBRAFERBB2BTK
SCHEMBL12694361 0.79 EGFR (1.00) EGFRKDRBRAFERBB2BTK
SCHEMBL5040071 0.79 EGFR (0.61) EGFRKDRBRAFERBB2BTK
SCHEMBL3520111 0.79 EGFR (0.72) EGFRKDRERBB2BTKJAK3
Canertinib SCHEMBL29655741 0.79 EGFR (1.00) EGFRKDRERBB2BTKJAK3
Canertinib SCHEMBL29368458 0.79 EGFR (1.00) EGFRKDRERBB2BTKJAK3

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
EP-4630416-A1 CANCER TREATING COMPOUNDS University of Bradford (GB) 2025-10-15 — — EP disclosed
CN-114286711-A Bicyclic heterocyclic compounds as inhibitors of BCDIN3D activity 风暴治疗有限公司 2022-04-05 — — CN disclosed
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