SCHEMBL7979941

SCHEMBL7979941

CN(CC#Cc1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.54
KDR P35968 2/20 0.50
PIK3CA P42336 1/20 0.49
PIK3CG P48736 1/20 0.49
FLT1 P17948 6/20 0.45
ERBB2 P04626 3/20 0.45
RET P07949 1/20 0.43

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
SCHEMBL7976688 0.83 EGFR (0.67) EGFRKDRPIK3CAPIK3CGFLT1
SCHEMBL7966427 0.77 EGFR (0.61) EGFRKDRPIK3CAPIK3CGFLT1
SCHEMBL5554543 0.76 EGFR (0.64) EGFRKDRPIK3CAPIK3CGFLT1
SCHEMBL8976304 0.74 EGFR (0.71) EGFRKDRPIK3CAPIK3CGFLT1
SCHEMBL3606262 0.73 EGFR (0.73) EGFRKDRPIK3CAPIK3CGFLT1
Hydrochloric Acid SCHEMBL8976476 0.73 EGFR (0.70) EGFRKDRPIK3CAPIK3CGFLT1
Hydrochloric Acid SCHEMBL8593958 0.72 EGFR (0.72) EGFRKDRFLT1
Hydrochloric Acid SCHEMBL4386000 0.72 RET (0.67) EGFRKDRFLT1ERBB2RET
SCHEMBL8093519 0.71 EGFR (1.00) EGFRPIK3CAPIK3CGFLT1ERBB2
SCHEMBL1733829 0.71 EGFR (0.76) EGFRKDRPIK3CAPIK3CGFLT1

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