SCHEMBL7980482

SCHEMBL7980482

COc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1-c1cncc(C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.58
EGFR P00533 7/20 0.56
ERBB2 P04626 2/20 0.56
ABCG2 Q9UNQ0 2/20 0.52
PRKCQ Q04759 3/20 0.51
PRKCH P24723 1/20 0.51
PRKCE Q02156 1/20 0.51
PRKCD Q05655 1/20 0.51
PIK3CA P42336 2/20 0.48
PIK3CG P48736 2/20 0.48
KDR P35968 2/20 0.48
BRAF P15056 4/20 0.47
RAF1 P04049 3/20 0.47
CLK1 P49759 1/20 0.46
KIF5B P33176 1/20 0.46
LCK P06239 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45

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
SCHEMBL7978607 0.86 EGFR (0.60) RETEGFRERBB2ABCG2KDR
SCHEMBL7980372 0.85 EGFR (0.60) RETEGFRERBB2ABCG2PIK3CA
SCHEMBL7978595 0.85 EGFR (0.62) RETEGFRERBB2ABCG2KDR
SCHEMBL7982980 0.85 EGFR (0.61) RETEGFRERBB2ABCG2KDR
SCHEMBL7980461 0.83 EGFR (0.61) RETEGFRERBB2ABCG2KDR
SCHEMBL7980714 0.83 EGFR (0.61) RETEGFRERBB2ABCG2KDR
SCHEMBL7978778 0.82 EGFR (0.60) RETEGFRERBB2ABCG2KDR
SCHEMBL7966337 0.82 RET (0.60) RETEGFRERBB2ABCG2KDR
SCHEMBL7966561 0.82 RET (0.60) RETEGFRERBB2ABCG2KDR
SCHEMBL8561433 0.82 RET (0.83) RETEGFRERBB2ABCG2KDR

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
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