SCHEMBL7976817

SCHEMBL7976817

CCOC(=O)c1ccc(-c2ccc3ncnc(Nc4ccc5[nH]ccc5c4)c3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.62
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 3/20 0.62
EGFR P00533 7/20 0.57
PIK3CA P42336 2/20 0.56
PIK3CG P48736 2/20 0.56
RAB9A P51151 2/20 0.56
ERBB2 P04626 1/20 0.56
MAOA P21397 1/20 0.55
LMNA P02545 3/20 0.51
FLT1 P17948 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
USP2 O75604 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
HSD17B10 Q99714 2/20 0.48

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
SCHEMBL7979940 0.87 EGFR (0.64) HPGDKDM4EALDH1A1EGFRRAB9A
SCHEMBL7978863 0.86 EGFR (0.54) HPGDKDM4EALDH1A1EGFRPIK3CA
SCHEMBL7125487 0.79 EGFR (0.70) EGFRERBB2FLT1
SCHEMBL7125492 0.79 EGFR (0.70) EGFRERBB2FLT1
SCHEMBL7980576 0.77 EGFR (0.66) EGFRPIK3CAPIK3CGERBB2FLT1
SCHEMBL7127189 0.76 EGFR (0.66) EGFRPIK3CAPIK3CGERBB2FLT1
SCHEMBL7980026 0.76 EGFR (0.63) EGFRERBB2
SCHEMBL7976753 0.74 CYP1A2 (0.66) HPGDKDM4EALDH1A1EGFRPIK3CA
SCHEMBL7119074 0.74 EGFR (0.68) EGFRERBB2FLT1
SCHEMBL7983292 0.74 EGFR (0.67) EGFRPIK3CAPIK3CGFLT1

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