SCHEMBL7536031

SCHEMBL7536031

c1cc2c(Nc3ccc4[nH]ncc4c3)ncnc2cn1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.69
EGFR P00533 8/20 0.67
RET P07949 2/20 0.64
FLT1 P17948 1/20 0.54
CDC7 O00311 1/20 0.53
KDR P35968 1/20 0.52
ERBB2 P04626 1/20 0.48
MAPKAPK2 P49137 1/20 0.48
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47

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
SCHEMBL7535210 0.90 EGFR (0.71) MKNK1EGFRRETFLT1CDC7
SCHEMBL2835747 0.85 EGFR (0.74) MKNK1EGFRRETFLT1KDR
SCHEMBL29516907 0.85 EGFR (0.74) MKNK1EGFRRETFLT1KDR
SCHEMBL7535216 0.83 EGFR (0.65) EGFRRETFLT1KDRERBB2
SCHEMBL7539318 0.82 EGFR (0.69) MKNK1EGFRRETFLT1CDC7
SCHEMBL26715240 0.82 MKNK1 (0.67) MKNK1EGFRRETFLT1CDC7
SCHEMBL15923731 0.82 MKNK1 (1.00) MKNK1EGFRRETFLT1CDC7
Hydrochloric Acid SCHEMBL7538211 0.81 EGFR (0.68) MKNK1EGFRRETFLT1CDC7
Hydrochloric Acid SCHEMBL8976219 0.81 MKNK1 (0.66) MKNK1EGFRRETFLT1CDC7
SCHEMBL8096187 0.81 EGFR (1.00) MKNK1EGFRRETFLT1KDR

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