SCHEMBL7912134

SCHEMBL7912134

Cc1cn(CN2CCN(C)CC2)c(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.52
EGFR P00533 13/20 0.50
AURKB Q96GD4 5/20 0.48
ERBB4 Q15303 2/20 0.48
CHEK2 O96017 1/20 0.48
ROS1 P08922 1/20 0.48
FLT3 P36888 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
AURKA O14965 3/20 0.44
PDGFRB P09619 2/20 0.43
TEK Q02763 2/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
INCENP Q9NQS7 1/20 0.42

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
SCHEMBL8468813 0.85 ERBB2 (0.55) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7013191 0.85 ERBB2 (0.52) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7912128 0.84 ERBB2 (0.53) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7013188 0.83 ERBB2 (0.53) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL4534304 0.80 ERBB2 (0.63) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL4559023 0.79 ERBB2 (0.72) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7007455 0.79 ERBB2 (0.53) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7011400 0.79 EGFR (0.50) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7888585 0.78 EGFR (0.61) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL6773404 0.78 EGFR (0.56) ERBB2EGFRAURKBERBB4CHEK2

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-6207669-B1 IN TREATMENT OF CANCER AND PSORIASIS GLAXO WELLCOME INC. 2001-03-27 US disclosed