SCHEMBL28808048

SCHEMBL28808048

O=C(Nc1ccccc1)Nc1ccc2c(Nc3ccccc3)ncnc2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.82
▸ CSF1R P07333 2/20 0.76
▸ KDR P35968 6/20 0.70
▸ KIT P10721 3/20 0.70
▸ PDGFRB P09619 1/20 0.70
▸ FLT1 P17948 1/20 0.70
▸ FLT4 P35916 1/20 0.70
▸ ADORA3 P0DMS8 1/20 0.64
▸ AURKA O14965 1/20 0.62
▸ FYN P06241 1/20 0.59
▸ SRC P12931 1/20 0.59
▸ AURKB Q96GD4 4/20 0.57
▸ DAPK3 O43293 1/20 0.57
▸ MAP4K4 O95819 1/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ ERBB2 P04626 1/20 0.57
▸ PIM1 P11309 1/20 0.57
▸ PRKACA P17612 1/20 0.57
▸ LTK P29376 1/20 0.57
▸ MAPK8 P45983 1/20 0.57

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
SCHEMBL27942045 0.94 EGFR (0.74) EGFRCSF1RKDRKITPDGFRB
SCHEMBL27923388 0.91 EGFR (0.74) EGFRCSF1RKDRKITPDGFRB
SCHEMBL27942030 0.90 EGFR (0.73) EGFRCSF1RKDRKITPDGFRB
SCHEMBL27923378 0.89 FYN (0.73) EGFRCSF1RKDRKITPDGFRB
SCHEMBL27758517 0.88 EGFR (0.76) EGFRCSF1RKDRKITPDGFRB
SCHEMBL27942042 0.87 EGFR (0.69) EGFRCSF1RKDRKITPDGFRB
SCHEMBL27758535 0.87 AURKB (0.68) EGFRCSF1RAURKAFYNSRC
SCHEMBL22548260 0.87 CSF1R (1.00) EGFRCSF1RKDRKITPDGFRB
SCHEMBL27942167 0.87 EGFR (0.68) EGFRCSF1RKDRKITPDGFRB
SCHEMBL27923375 0.86 EGFR (0.67) EGFRCSF1RKDRAURKAAURKB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103382182-A Phenylurea coupling quinazoline compound, and preparation method, pharmaceutical composition and pharmaceutical use thereof UNIV HEBEI MEDICAL 2013-11-06 — — CN claimed
CN-103382182-A Phenylurea coupling quinazoline compound, and preparation method, pharmaceutical composition and pharmaceutical use thereof UNIV HEBEI MEDICAL 2013-11-06 — — CN disclosed
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