SCHEMBL28798384

SCHEMBL28798384

COc1cc2ncnc(Nc3nccc(C4CNCCO4)n3)c2cc1N

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 16/20 0.49
KDR P35968 2/20 0.47
EPHB4 P54760 2/20 0.47
EGFR P00533 2/20 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
SCHEMBL28798345 0.88 EPHA2 (0.47) EPHA2KDREPHB4EGFR
SCHEMBL28798367 0.87 EPHA2 (0.50) EPHA2KDREPHB4EGFR
SCHEMBL28798422 0.87 EGFR (0.48) EPHA2KDREPHB4EGFR
SCHEMBL28829750 0.83 EGFR (0.46) EPHA2KDREPHB4EGFR
SCHEMBL28829760 0.83 EPHA2 (0.44) EPHA2KDREPHB4EGFR
SCHEMBL28798380 0.82 EPHA2 (0.50) EPHA2KDREPHB4EGFR
SCHEMBL28829777 0.82 HDAC3 (0.46) EPHA2KDREPHB4EGFR
SCHEMBL28829757 0.82 EGFR (0.46) EPHA2KDREPHB4EGFR
SCHEMBL28829770 0.81 EGFR (0.47) EPHA2KDREPHB4EGFR
SCHEMBL28938268 0.81 EPHA2 (0.44) EPHA2

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-114835683-A Quinazoline-4, 6-diamine compound containing morpholinyl aromatic heterocycle and preparation method thereof 江苏食品药品职业技术学院 2022-08-02 CN disclosed