SCHEMBL8547838

SCHEMBL8547838

COc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1C=Cc1ccc(CCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.57
ERBB2 P04626 3/20 0.57
RET P07949 5/20 0.54
PIK3CA P42336 2/20 0.46
PIK3CG P48736 2/20 0.46
FLT1 P17948 3/20 0.45
KDR P35968 4/20 0.45
CLK1 P49759 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
KIF5B P33176 1/20 0.43
LCK P06239 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
GAK O14976 1/20 0.42
RIPK2 O43353 1/20 0.42
STK10 O94804 1/20 0.42
FLT3 P36888 1/20 0.42
JAK3 P52333 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
Q6ZSR9 Q6ZSR9 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
SCHEMBL7976955 0.94 EGFR (0.59) EGFRERBB2RETPIK3CAPIK3CG
SCHEMBL7976950 0.94 EGFR (0.59) EGFRERBB2RETPIK3CAPIK3CG
SCHEMBL7979994 0.88 EGFR (0.63) EGFRERBB2RETFLT1KDR
SCHEMBL7979991 0.88 EGFR (0.63) EGFRERBB2RETFLT1KDR
SCHEMBL7978417 0.88 RET (0.60) EGFRERBB2RETFLT1KDR
SCHEMBL7978415 0.88 RET (0.60) EGFRERBB2RETFLT1KDR
SCHEMBL7980425 0.87 RET (0.61) EGFRERBB2RETFLT1KDR
SCHEMBL7980428 0.87 RET (0.61) EGFRERBB2RETFLT1KDR
SCHEMBL7978490 0.87 RET (0.62) EGFRERBB2RETFLT1KDR
SCHEMBL7979945 0.87 RET (0.60) EGFRERBB2RETFLT1KDR

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