SCHEMBL7535210

SCHEMBL7535210

c1cc2ncnc(Nc3ccc4[nH]ncc4c3)c2cn1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.71
MKNK1 Q9BUB5 7/20 0.69
RET P07949 2/20 0.64
FLT1 P17948 1/20 0.54
CDC7 O00311 1/20 0.53
KDR P35968 1/20 0.52
RAF1 P04049 1/20 0.50
BRAF P15056 1/20 0.50
ERBB2 P04626 1/20 0.48
MAPKAPK2 P49137 1/20 0.48

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
SCHEMBL29680961 0.90 RET (0.64) EGFRMKNK1RETFLT1CDC7
SCHEMBL7536031 0.90 MKNK1 (0.69) EGFRMKNK1RETFLT1CDC7
SCHEMBL29516907 0.85 EGFR (0.74) EGFRMKNK1RETFLT1KDR
SCHEMBL2835747 0.85 EGFR (0.74) EGFRMKNK1RETFLT1KDR
SCHEMBL27545981 0.83 EGFR (0.69) EGFRRETFLT1KDRERBB2
SCHEMBL8096187 0.83 EGFR (1.00) EGFRMKNK1RETFLT1KDR
Hydrochloric Acid SCHEMBL7539353 0.82 EGFR (0.67) EGFRRETFLT1KDRERBB2
SCHEMBL15923731 0.82 MKNK1 (1.00) EGFRMKNK1RETFLT1CDC7
SCHEMBL22201396 0.80 TGFBR1 (0.53) MKNK1
SCHEMBL7539318 0.80 EGFR (0.69) EGFRMKNK1RETFLT1CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3290666-B2 2002-06-10 JP claimed
EP-0831829-A4 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER (US) 1998-11-25 EP claimed
EP-0831829-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1998-04-01 EP claimed
CN-1141298-A Pyrimidine-fused heterocyclic compound anti-cancer agents PFIZER (US) 1997-01-29 CN claimed
WO-1996040142-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1996-12-19 WO claimed
US-6395733-B1 ANTICANCER AGENTS; ANTIPROLIFERATIVE AGENTS PFIZER INC 2002-05-28 US disclosed
EP-0831829-A4 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER (US) 1998-11-25 EP disclosed
EP-0831829-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1998-04-01 EP disclosed
CN-1141298-A Pyrimidine-fused heterocyclic compound anti-cancer agents PFIZER (US) 1997-01-29 CN disclosed
WO-1996040142-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1996-12-19 WO disclosed