SCHEMBL30126489

SCHEMBL30126489

C=CC(=O)N1CCC[C@@H](c2ccc3ncnc(Oc4ccc(Cl)c(Cl)c4F)c3c2)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.48
▸ ERBB2 P04626 4/20 0.48
▸ KCNH2 Q12809 2/20 0.46
▸ BTK Q06187 2/20 0.46
▸ RIPK2 O43353 1/20 0.46
▸ RET P07949 1/20 0.46
▸ MET P08581 1/20 0.46
▸ EPHB2 P29323 1/20 0.46
▸ TEC P42680 1/20 0.46
▸ EPHB4 P54760 1/20 0.46
▸ EPHA4 P54764 1/20 0.46
▸ TNK1 Q13470 1/20 0.46
▸ RIPK3 Q9Y572 1/20 0.46
▸ FGFR4 P22455 1/20 0.41

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
SCHEMBL30125755 1.00 EGFR (0.48) EGFRERBB2KCNH2BTKRIPK2
SCHEMBL30125765 0.96 EGFR (0.51) EGFRERBB2KCNH2BTKRIPK2
SCHEMBL30126357 0.96 EGFR (0.51) EGFRERBB2KCNH2BTKRIPK2
SCHEMBL30125786 0.86 PIK3CD (0.48) EGFRERBB2EPHB4
SCHEMBL30127558 0.86 PIK3CD (0.48) EGFRERBB2EPHB4
SCHEMBL30126934 0.86 PIK3CD (0.48) EGFRERBB2EPHB4
SCHEMBL30125952 0.86 PIK3CD (0.48) EGFRERBB2EPHB4
SCHEMBL30125958 0.86 EGFR (0.49) EGFRERBB2FGFR4
SCHEMBL30127058 0.82 EGFR (0.49) EGFRERBB2BTKFGFR4
SCHEMBL30126517 0.82 PIK3CD (0.51) EGFRERBB2EPHB4

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-2022266458-A1 6-HETEROCYCLOALKYL-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 — — WO disclosed
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