SCHEMBL1940561

SCHEMBL1940561

Cc1cccc(NC(=O)Nc2cccc(C(=O)c3cn(CC4CC4)c4ncnc(N)c34)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 12/20 0.60
EGFR P00533 8/20 0.60
ERBB2 P04626 7/20 0.60
ERBB3 P21860 7/20 0.60
ERBB4 Q15303 7/20 0.60
KDR P35968 11/20 0.57
PDGFRB P09619 3/20 0.55
AURKA O14965 3/20 0.49
AURKB Q96GD4 3/20 0.49
IKBKE Q14164 1/20 0.49
MAP4K4 O95819 4/20 0.46
CSNK1G2 P78368 4/20 0.46
HIPK4 Q8NE63 4/20 0.46
SLK Q9H2G2 4/20 0.46
CLK4 Q9HAZ1 4/20 0.46
MKNK2 Q9HBH9 4/20 0.46
PLK4 O00444 3/20 0.46
AXL P30530 3/20 0.46
LIMK1 P53667 3/20 0.46
MAP4K2 Q12851 3/20 0.46

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
SCHEMBL1941309 0.91 EGFR (0.54) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1940283 0.91 EGFR (0.75) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1941729 0.89 EGFR (0.60) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1940603 0.88 EGFR (0.64) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1939937 0.88 EGFR (0.58) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1940135 0.87 EGFR (0.58) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1940713 0.86 EGFR (0.74) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1940205 0.84 TEK (0.62) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1939673 0.84 EGFR (0.80) TEKEGFRERBB2ERBB3ERBB4
SCHEMBL1940004 0.84 EGFR (0.82) TEKEGFRERBB2ERBB3ERBB4

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-1578751-B1 PYRROLOPYRIMIDINE DERIVATIVES PFIZER PROD INC (US) 2011-06-15 EP disclosed