SCHEMBL7977085

SCHEMBL7977085

COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1-c1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.72
FBP1 P09467 4/20 0.72
ERBB2 P04626 3/20 0.72
KDR P35968 3/20 0.72
KDM4E B2RXH2 1/20 0.72
GAK O14976 1/20 0.72
MAPK13 O15264 1/20 0.72
ABL1 P00519 1/20 0.72
CYP1A2 P05177 1/20 0.72
CDK1 P06493 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72
MAPT P10636 1/20 0.72
CYP2C9 P11712 1/20 0.72
SRC P12931 1/20 0.72
TSHR P16473 1/20 0.72
MAPK1 P28482 1/20 0.72
EPHB2 P29323 1/20 0.72
CYP2C19 P33261 1/20 0.72
MAPK12 P53778 1/20 0.72

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
SCHEMBL7976954 0.85 EGFR (0.74) EGFRFBP1ERBB2KDRGAK
SCHEMBL9423 0.85 EGFR (1.00) EGFRFBP1ERBB2KDRKDM4E
SCHEMBL29444884 0.85 EGFR (1.00) EGFRFBP1ERBB2KDRKDM4E
SCHEMBL30363011 0.85 EGFR (1.00) EGFRFBP1ERBB2KDRKDM4E
Hydrochloric Acid SCHEMBL29369196 0.84 EGFR (1.00) EGFRFBP1ERBB2KDRKDM4E
Hydrochloric Acid SCHEMBL93918 0.84 EGFR (1.00) EGFRFBP1ERBB2KDRKDM4E
Hydrochloric Acid SCHEMBL30362813 0.84 EGFR (1.00) EGFRFBP1ERBB2KDRKDM4E
SCHEMBL4229994 0.83 EGFR (0.82) EGFRFBP1ERBB2KDRKDM4E
SCHEMBL8552331 0.81 EGFR (0.50) EGFRFBP1ERBB2KDRKDM4E
SCHEMBL22367405 0.81 EGFR (0.82) EGFRFBP1ERBB2KDRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837063-A1 4-Aminoquinazoline derivatives PFIZER INC. (US) 1998-04-22 EP claimed
US-6225318-B1 4-aminoquinazolone derivatives PFIZER INC 2001-05-01 US disclosed
EP-0837063-A1 4-Aminoquinazoline derivatives PFIZER INC. (US) 1998-04-22 EP disclosed