SCHEMBL8103000

SCHEMBL8103000

Fc1ccc(Nc2ncnc3ccc(NCCN4CCOCC4)cc23)cc1F

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.65
ERBB2 P04626 2/20 0.58
ERBB4 Q15303 2/20 0.58
MAP3K8 P41279 1/20 0.56
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
HSD17B10 Q99714 2/20 0.55
USP2 O75604 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL8629162 0.85 EGFR (0.79) EGFRERBB2ERBB4MAP3K8MAPT
SCHEMBL7763005 0.84 EGFR (0.61) EGFRERBB2ERBB4MAPT
SCHEMBL8110759 0.82 EGFR (0.74) EGFRERBB2ERBB4
SCHEMBL2994255 0.80 EGFR (0.83) EGFRERBB2
SCHEMBL4007243 0.79 CYP1A2 (0.67) EGFRALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8104967 0.78 EGFR (0.57) EGFRERBB2ERBB4
SCHEMBL11304 0.78 EGFR (0.86) EGFRERBB2ERBB4MAPT
SCHEMBL30416288 0.78 EGFR (0.86) EGFRERBB2ERBB4MAPT
SCHEMBL13192086 0.77 CYP1A2 (0.72) EGFRALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13755815 0.77 EGFR (0.62) EGFRERBB2ERBB4KDM4EMAPT

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
US-6015814-A Quinazoline derivative ZENECA LIMITED (GB) 2000-01-18 US disclosed