SCHEMBL7980576

SCHEMBL7980576

O=c1ccc(-c2ccc3ncnc(Nc4ccc5[nH]ccc5c4)c3c2)c[nH]1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.66
PIK3CA P42336 1/20 0.61
PIK3CG P48736 1/20 0.61
FLT1 P17948 8/20 0.52
IRAK4 Q9NWZ3 2/20 0.49
KDR P35968 2/20 0.49
ERBB2 P04626 1/20 0.49
RET P07949 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
SCHEMBL7976753 0.80 CYP1A2 (0.66) EGFRPIK3CAPIK3CGFLT1KDR
SCHEMBL7983292 0.80 EGFR (0.67) EGFRPIK3CAPIK3CGFLT1KDR
SCHEMBL8093519 0.80 EGFR (1.00) EGFRPIK3CAPIK3CGFLT1ERBB2
SCHEMBL1733829 0.79 EGFR (0.76) EGFRPIK3CAPIK3CGFLT1KDR
SCHEMBL3606262 0.77 EGFR (0.73) EGFRPIK3CAPIK3CGFLT1KDR
SCHEMBL7976817 0.77 HPGD (0.62) EGFRPIK3CAPIK3CGFLT1ERBB2
SCHEMBL7127189 0.76 EGFR (0.66) EGFRPIK3CAPIK3CGFLT1KDR
Hydrochloric Acid SCHEMBL8593958 0.76 EGFR (0.72) EGFRFLT1KDR
SCHEMBL8976304 0.76 EGFR (0.71) EGFRPIK3CAPIK3CGFLT1IRAK4
Hydrochloric Acid SCHEMBL8976403 0.76 EGFR (0.67) EGFRPIK3CAPIK3CGFLT1ERBB2

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