SCHEMBL29383983

SCHEMBL29383983

CC(C)(C)N1CC[C@@H](Oc2cc3ncnc(Nc4ccnc(-c5ccccc5F)c4)c3cc2N)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.45
▸ ERBB2 P04626 7/20 0.42
▸ KDR P35968 2/20 0.41
▸ EPHA2 P29317 1/20 0.41
▸ EPHB4 P54760 1/20 0.41
▸ FGFR1 P11362 1/20 0.40
▸ FLT1 P17948 1/20 0.40

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
SCHEMBL30420449 0.91 EGFR (0.51) EGFRERBB2KDREPHA2EPHB4
SCHEMBL25663391 0.91 EGFR (0.51) EGFRERBB2KDREPHA2EPHB4
SCHEMBL25663568 0.88 EGFR (0.44) EGFRERBB2KDREPHA2EPHB4
SCHEMBL29380757 0.88 EGFR (0.44) EGFRERBB2KDREPHA2EPHB4
SCHEMBL25663566 0.88 EGFR (0.44) EGFRERBB2KDREPHA2EPHB4
SCHEMBL29382657 0.88 EGFR (0.43) EGFRERBB2KDREPHA2EPHB4
SCHEMBL30429745 0.87 EGFR (0.48) EGFRERBB2EPHA2EPHB4
SCHEMBL25663542 0.87 EGFR (0.48) EGFRERBB2EPHA2EPHB4
SCHEMBL26055468 0.87 EGFR (0.48) EGFRERBB2EPHA2EPHB4
SCHEMBL25244341 0.86 EGFR (0.51) EGFRERBB2KDR

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
WO-2022033410-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2022-02-17 — — WO disclosed
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