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SCHEMBL30127080

SCHEMBL30127080

CC(C)(C)OC(=O)N1CCCC(c2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)C1.CC(C)(C)OC(=O)N1CCC[C@H](c2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)C1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 15/20 0.60
▸ EGFR P00533 13/20 0.59
▸ LCK P06239 1/20 0.59
▸ AURKA O14965 1/20 0.51
▸ RPS6KB1 P23443 1/20 0.51
▸ EPHA2 P29317 2/20 0.50
▸ EPHB4 P54760 2/20 0.50
▸ KCNH2 Q12809 2/20 0.49
▸ KDR P35968 1/20 0.49

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
SCHEMBL30126431 1.00 ERBB2 (0.60) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL30126786 1.00 ERBB2 (0.60) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL30125852 1.00 ERBB2 (0.60) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL30126660 0.91 EGFR (0.49) ERBB2EGFRLCKEPHA2EPHB4
SCHEMBL30127111 0.91 EGFR (0.49) ERBB2EGFRLCKEPHA2EPHB4
SCHEMBL30125772 0.91 EGFR (0.49) ERBB2EGFRLCKEPHA2EPHB4
SCHEMBL30126610 0.91 EGFR (0.49) ERBB2EGFRLCKEPHA2EPHB4
SCHEMBL30126642 0.90 ERBB2 (0.48) ERBB2EGFRLCKEPHA2EPHB4
SCHEMBL30127300 0.90 EGFR (0.57) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL30127162 0.88 EGFR (0.70) ERBB2EGFRLCKAURKARPS6KB1

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