SCHEMBL28514262

SCHEMBL28514262

c1ccc(Nc2ncnc3ccc4c(c23)OCCN4)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.76
▸ RET P07949 3/20 0.45
▸ ABL1 P00519 3/20 0.43
▸ PRKCA P17252 2/20 0.43
▸ SRC P12931 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ LTK P29376 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.43
▸ LIMK1 P53667 1/20 0.43
▸ MAP2K1 Q02750 1/20 0.43
▸ ACVR1 Q04771 1/20 0.43
▸ TYRO3 Q06418 1/20 0.43
▸ MAP4K2 Q12851 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43

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
SCHEMBL30167109 0.90 EGFR (0.64) EGFRRETERBB2AURKBCLK4
SCHEMBL21331884 0.90 EGFR (0.64) EGFRRETERBB2AURKBCLK4
SCHEMBL21331750 0.88 EGFR (0.74) EGFRRETDYRK1ACLK4DYRK1B
SCHEMBL30167186 0.88 EGFR (0.61) EGFRERBB2AURKBCLK4MAPT
SCHEMBL21331758 0.87 EGFR (1.00) EGFR
SCHEMBL30167153 0.86 EGFR (0.59) EGFRRETERBB2DYRK1AAURKB
SCHEMBL30167177 0.85 EGFR (0.61) EGFRRETERBB2DYRK1ADYRK1B
SCHEMBL21345572 0.85 EGFR (0.64) EGFRRETDYRK1ADYRK1BMAPT
SCHEMBL21333844 0.84 EGFR (1.00) EGFRRETABCG2TSHRHTT
SCHEMBL28907418 0.84 EGFR (0.73) EGFRERBB2DYRK1ADYRK1BMAPT

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
CN-110229172-B Acyl-substituted oxazine quinazoline compound, preparation method and application thereof 北京赛特明强医药科技有限公司 2020-12-25 — — CN disclosed
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