SCHEMBL8547836

SCHEMBL8547836

COc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1/C=C/c1ccc(C(C)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.58
ERBB2 P04626 1/20 0.58
RET P07949 8/20 0.55
ABCG2 Q9UNQ0 3/20 0.44
CLK1 P49759 1/20 0.44
KDR P35968 4/20 0.44
KIF5B P33176 2/20 0.43
LCK P06239 2/20 0.43
GAK O14976 1/20 0.43
RIPK2 O43353 1/20 0.43
STK10 O94804 1/20 0.43
FLT3 P36888 1/20 0.43
JAK3 P52333 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
Q6ZSR9 Q6ZSR9 1/20 0.43
SLK Q9H2G2 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
RPS6KA6 Q9UK32 1/20 0.43
ALK Q9UM73 1/20 0.43
FLT1 P17948 1/20 0.42

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
SCHEMBL8547844 1.00 EGFR (0.58) EGFRERBB2RETABCG2CLK1
SCHEMBL7982973 0.92 RET (0.55) EGFRERBB2RETABCG2CLK1
SCHEMBL7982971 0.92 RET (0.55) EGFRERBB2RETABCG2CLK1
SCHEMBL7978417 0.89 RET (0.60) EGFRERBB2RETABCG2CLK1
SCHEMBL7979994 0.89 EGFR (0.63) EGFRERBB2RETABCG2CLK1
SCHEMBL7979991 0.89 EGFR (0.63) EGFRERBB2RETABCG2CLK1
SCHEMBL7978415 0.89 RET (0.60) EGFRERBB2RETABCG2CLK1
SCHEMBL7980425 0.88 RET (0.61) EGFRERBB2RETABCG2CLK1
SCHEMBL7980428 0.88 RET (0.61) EGFRERBB2RETABCG2CLK1
SCHEMBL7976955 0.88 EGFR (0.59) EGFRERBB2RETABCG2CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837063-A1 4-Aminoquinazoline derivatives PFIZER INC. (US) 1998-04-22 EP disclosed