SCHEMBL30127567

SCHEMBL30127567

CC(C)(C)OC(=O)N1CCC(c2ccc3ncnc(Nc4cccc(Cl)c4F)c3c2)C1.CC(C)(C)OC(=O)N1CC[C@H](c2ccc3ncnc(Nc4cccc(Cl)c4F)c3c2)C1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.56
▸ SRC P12931 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ ERBB2 P04626 2/20 0.48

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
SCHEMBL30125906 1.00 EGFR (0.56) EGFRSRCDRD2KDRERBB2
SCHEMBL30126644 1.00 EGFR (0.56) EGFRSRCDRD2KDRERBB2
SCHEMBL30127293 1.00 EGFR (0.56) EGFRSRCDRD2KDRERBB2
SCHEMBL30127227 0.96 EGFR (0.54) EGFRSRCDRD2KDRERBB2
SCHEMBL30126171 0.96 EGFR (0.54) EGFRSRCDRD2KDRERBB2
SCHEMBL30127585 0.96 EGFR (0.54) EGFRSRCDRD2KDRERBB2
SCHEMBL30125915 0.96 EGFR (0.54) EGFRSRCDRD2KDRERBB2
SCHEMBL30126467 0.96 EGFR (0.54) EGFRSRCDRD2KDRERBB2
SCHEMBL30127125 0.94 EGFR (0.52) EGFRSRCDRD2KDRERBB2
SCHEMBL30126113 0.91 EGFR (0.52) EGFRKDRERBB2

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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