SCHEMBL7513340

SCHEMBL7513340

COC(=O)C(c1cccc(Br)c1)c1ncnc2cc(OC)c(OC)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.52
▸ EGFR P00533 10/20 0.52
▸ ERBB2 P04626 4/20 0.52
▸ SRC P12931 2/20 0.52
▸ FBP1 P09467 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ GAK O14976 1/20 0.52
▸ MAPK13 O15264 1/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CDK1 P06493 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ EPHB2 P29323 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ MAPK12 P53778 1/20 0.52

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
SCHEMBL7512908 0.76 LMNA (0.49) KDM4EMAPTMAPK1ABCG2
SCHEMBL5864878 0.72 PDE10A (0.65) KDREGFRERBB2SRCFBP1
SCHEMBL7780495 0.71 EGFR (0.54) KDREGFRERBB2SRCFBP1
SCHEMBL7773688 0.71 EGFR (0.54) KDREGFRERBB2SRCFBP1
SCHEMBL7778261 0.71 EGFR (0.54) KDREGFRERBB2SRCFBP1
SCHEMBL5824553 0.70 KDR (0.71) KDREGFRSRCMAPK14KIT
SCHEMBL7780507 0.70 EGFR (0.69) KDREGFRERBB2KDM4EMAPK1
SCHEMBL27641671 0.70 EGFR (0.69) KDREGFRERBB2SRCFBP1
SCHEMBL2125179 0.69 EGFR (0.61) KDREGFRERBB2SRCFBP1
SCHEMBL9423 0.69 EGFR (1.00) KDREGFRERBB2SRCFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832073-B1 QUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS SUGEN INC (US) 2002-01-16 — — EP claimed
EP-0832073-B1 QUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS SUGEN INC (US) 2002-01-16 — — EP disclosed
US-6103728-A MODULATING TYROSINE SIGNAL TRANSDUCTION TO PREVENT AND TREAT CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS BY INHIBITING ONE OR MORE ABNORMAL TYROSINE KINASE ACTIVITIES; ANTICARCINOGENIC,-TUMOR, PROLIFERATIVE AGENTS SUGEN, INC. (US) 2000-08-15 — — US disclosed
EP-0832073-A1 QUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS Sugen, Inc. (US) 1998-04-01 — — EP disclosed
WO-1996040648-A1 QUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS SUGEN, INC. (US) 1996-12-19 — — WO disclosed
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