SCHEMBL7978490

SCHEMBL7978490

COc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1/C=C/c1ccc(OC)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.62
EGFR P00533 10/20 0.58
ERBB2 P04626 1/20 0.58
ABCG2 Q9UNQ0 4/20 0.55
CLK1 P49759 1/20 0.55
LCK P06239 3/20 0.54
ABCB1 P08183 1/20 0.51
KDR P35968 4/20 0.49
KIF5B P33176 1/20 0.49
FLT1 P17948 1/20 0.46

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
SCHEMBL7978493 1.00 RET (0.62) RETEGFRERBB2ABCG2CLK1
SCHEMBL7980352 0.91 RET (0.54) RETEGFRERBB2ABCG2CLK1
SCHEMBL7980351 0.91 RET (0.54) RETEGFRERBB2ABCG2CLK1
SCHEMBL7978415 0.91 RET (0.60) RETEGFRERBB2ABCG2CLK1
SCHEMBL7979991 0.91 EGFR (0.63) RETEGFRERBB2ABCG2CLK1
SCHEMBL7979994 0.91 EGFR (0.63) RETEGFRERBB2ABCG2CLK1
SCHEMBL7978417 0.91 RET (0.60) RETEGFRERBB2ABCG2CLK1
SCHEMBL7980425 0.90 RET (0.61) RETEGFRERBB2ABCG2CLK1
SCHEMBL7980428 0.90 RET (0.61) RETEGFRERBB2ABCG2CLK1
SCHEMBL7980343 0.89 RET (0.60) RETEGFRERBB2ABCG2CLK1

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