SCHEMBL8548481

SCHEMBL8548481

C#Cc1cccc(Nc2ncnc3ccc(C4=Cc5ccnc4c5)cc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.60
ERBB2 P04626 3/20 0.60
ERBB4 Q15303 2/20 0.60
GAK O14976 3/20 0.53
FBP1 P09467 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
RIPK2 O43353 2/20 0.49
BUB1 O43683 2/20 0.49
STK10 O94804 2/20 0.49
MAP3K1 Q13233 2/20 0.49
PIP4K2C Q8TBX8 2/20 0.49
SLK Q9H2G2 2/20 0.49
CARS1 P49589 1/20 0.49
RAF1 P04049 3/20 0.48
BRAF P15056 3/20 0.48
PLK4 O00444 1/20 0.48
CIT O14578 1/20 0.48
AURKA O14965 1/20 0.48
EPHB6 O15197 1/20 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
SCHEMBL7982836 0.83 EGFR (0.63) EGFRERBB2ERBB4GAKFBP1
SCHEMBL7976867 0.80 EGFR (0.70) EGFRERBB2ERBB4GAKFBP1
SCHEMBL7982859 0.78 EGFR (0.68) EGFRERBB2ERBB4GAKFBP1
SCHEMBL7978774 0.78 EGFR (0.71) EGFRERBB2ERBB4GAKFBP1
SCHEMBL7966785 0.78 CYP1A2 (0.72) EGFRERBB2ERBB4GAKFBP1
SCHEMBL7982823 0.76 EGFR (0.68) EGFRERBB2ERBB4GAKFBP1
SCHEMBL1507464 0.76 EGFR (0.70) EGFRERBB2ERBB4GAKFBP1
SCHEMBL7978611 0.76 EGFR (0.64) EGFRERBB2ERBB4GAKFBP1
SCHEMBL27756978 0.76 EGFR (0.67) EGFRERBB2ERBB4GAKFBP1
SCHEMBL15051921 0.76 BRAF (0.72) EGFRERBB2ERBB4GAKFBP1

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