SCHEMBL28907418

SCHEMBL28907418

C#Cc1cccc(Nc2ncnc3ccc4c(c23)OCCN4)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.73
▸ GAK O14976 2/20 0.52
▸ RIPK2 O43353 1/20 0.52
▸ BUB1 O43683 1/20 0.52
▸ STK10 O94804 1/20 0.52
▸ CARS1 P49589 1/20 0.52
▸ MAP3K1 Q13233 1/20 0.52
▸ PIP4K2C Q8TBX8 1/20 0.52
▸ SLK Q9H2G2 1/20 0.52
▸ DYRK1A Q13627 1/20 0.47
▸ DYRK1B Q9Y463 1/20 0.47
▸ FBP1 P09467 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ERBB2 P04626 1/20 0.45
▸ ERBB4 Q15303 1/20 0.45

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
SCHEMBL21331758 0.85 EGFR (1.00) EGFR
SCHEMBL28514262 0.84 EGFR (0.76) EGFRDYRK1ADYRK1BMAPTERBB2
SCHEMBL21333844 0.82 EGFR (1.00) EGFR
SCHEMBL15928191 0.80 EGFR (0.76) EGFRGAKRIPK2BUB1STK10
SCHEMBL30167226 0.78 EGFR (0.59) EGFRERBB2ERBB4
SCHEMBL21331750 0.78 EGFR (0.74) EGFRDYRK1ADYRK1BALDH1A1
SCHEMBL21331747 0.77 EGFR (1.00) EGFR
SCHEMBL17934337 0.76 EGFR (1.00) EGFRGAKRIPK2BUB1STK10
SCHEMBL21331884 0.76 EGFR (0.64) EGFRRIPK2ERBB2ERBB4
SCHEMBL30167109 0.76 EGFR (0.64) EGFRRIPK2ERBB2ERBB4

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
Send feedback