SCHEMBL6320672

SCHEMBL6320672

Nc1ncc(-c2ccc(OCc3ccccc3)cc2)c(Nc2cnc3ccccc3c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
GHSR Q92847 1/20 0.44
EGFR P00533 4/20 0.43
ERBB2 P04626 3/20 0.43
AURKB Q96GD4 2/20 0.43
CHEK2 O96017 1/20 0.43
ROS1 P08922 1/20 0.43
FLT3 P36888 1/20 0.43
ERBB4 Q15303 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
GSTP1 P09211 1/20 0.43
FAAH O00519 1/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6313731 0.87 PIK3CA (0.41) NPSR1RAB9AKMT2ADHFRPIK3CA
SCHEMBL6318862 0.82 DHFR (0.56) NPSR1DHFRPIK3CA
SCHEMBL6318945 0.82 TNF (0.44) MAPTNPSR1EGFRSMN1; SMN2KMT2A
SCHEMBL6315288 0.80 PDGFRB (0.49) NPSR1FAAHRAB9ASMN1; SMN2PIK3CA
SCHEMBL6315312 0.80 IGF1R (0.54) EGFRMAOB
SCHEMBL6321509 0.80 IGF1R (0.60) EGFR
SCHEMBL6312550 0.78 CA12 (0.56) EGFRERBB2FAAHRAB9AKMT2A
SCHEMBL6313258 0.76 DYRK1A (0.43) NPSR1DHFRPIK3CA
SCHEMBL6313300 0.75 ABCG2 (0.46) NPSR1EGFRDHFRPIK3CA
SCHEMBL6315310 0.75 ADORA1 (0.45) EGFRSMN1; SMN2KMT2ADHFRPIK3CA

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
EP-1580191-A1 PROCESS FOR PRODUCING CARBAPENEM COMPOUND FOR ORAL ADMINISTRATION KANEKA CORPORATION (JP) 2005-09-28 EP disclosed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed