SCHEMBL7978607

SCHEMBL7978607

COc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1-c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.60
ERBB2 P04626 1/20 0.60
RET P07949 5/20 0.60
BRAF P15056 4/20 0.52
RAF1 P04049 3/20 0.52
KDR P35968 5/20 0.51
EPHA2 P29317 2/20 0.51
EPHB4 P54760 2/20 0.51
FLT1 P17948 2/20 0.49
KIF5B P33176 1/20 0.49
CLK1 P49759 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
ERBB4 Q15303 1/20 0.47
LCK P06239 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
SCHEMBL7977034 0.91 EGFR (0.54) EGFRERBB2RETBRAFRAF1
SCHEMBL7980461 0.88 EGFR (0.61) EGFRERBB2RETBRAFRAF1
SCHEMBL7966576 0.88 EGFR (0.57) EGFRERBB2RETRAF1KDR
SCHEMBL7980372 0.87 EGFR (0.60) EGFRERBB2RETBRAFRAF1
SCHEMBL7978595 0.87 EGFR (0.62) EGFRERBB2RETBRAFRAF1
SCHEMBL7980714 0.86 EGFR (0.61) EGFRERBB2RETBRAFRAF1
SCHEMBL7980588 0.86 RET (0.61) EGFRERBB2RETKDRFLT1
SCHEMBL7982980 0.86 EGFR (0.61) EGFRERBB2RETBRAFRAF1
SCHEMBL7980482 0.86 RET (0.58) EGFRERBB2RETBRAFRAF1
SCHEMBL7978778 0.86 EGFR (0.60) EGFRERBB2RETBRAFRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225318-B1 4-aminoquinazolone derivatives PFIZER INC 2001-05-01 US claimed
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