SCHEMBL2326992

SCHEMBL2326992

CCN(CC)c1ccc(Nc2ccnc(NC(=O)Nc3c(Cl)cccc3Cl)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.49
AURKA O14965 6/20 0.49
EGFR P00533 3/20 0.48
ABL1 P00519 2/20 0.48
PDGFRB P09619 1/20 0.48
KIT P10721 1/20 0.48
FGFR1 P11362 1/20 0.48
SRC P12931 1/20 0.48
BRAF P15056 1/20 0.48
EPHB4 P54760 1/20 0.48
TEK Q02763 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
LCK P06239 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
NOX1 Q9Y5S8 2/20 0.45
RAB9A P51151 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL374526 0.81 EGFR (0.69) KDREGFRABL1PDGFRBKIT
SCHEMBL6978712 0.73 MEN1 (0.58) AURKAEGFRLCKMEN1KMT2A
SCHEMBL374331 0.72 LCK (0.81) LCK
SCHEMBL28606997 0.71 KMT2A (0.44) KDREGFRABL1PDGFRBKIT
SCHEMBL374872 0.69 EGFR (0.54) KDREGFRABL1PDGFRBKIT
SCHEMBL27838991 0.66 CA1 (0.49) AURKAKITFGFR1BRAFMEN1
SCHEMBL10221479 0.66 MEN1 (0.73) MEN1KMT2ANPC1NOX1RAB9A
SCHEMBL15492045 0.66 AURKA (1.00) AURKAAURKB
SCHEMBL6978702 0.66 IGF1R (0.64) KDRAURKAEGFRFGFR1SRC
SCHEMBL27819551 0.66 SYK (0.69) KDRAURKAEGFRABL1FGFR1

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-1761505-B1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-17 EP disclosed