SCHEMBL1634189

SCHEMBL1634189

CS(=O)(=O)Nc1cccc(-c2ccc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.56
MAPK10 P53779 1/20 0.56
CDK1 P06493 1/20 0.55
CDK2 P24941 1/20 0.55
PTK2 Q05397 5/20 0.51
SYK P43405 3/20 0.51
DKK1 O94907 1/20 0.47
GSK3B P49841 1/20 0.47
MAP4K1 Q92918 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
HIF1A Q16665 2/20 0.47
USP2 O75604 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL1632940 0.88 PTK2 (0.56) MAPK8MAPK10CDK1CDK2PTK2
SCHEMBL1633611 0.88 SYK (0.54) MAPK8CDK1CDK2PTK2SYK
SCHEMBL1632476 0.86 MAP3K5 (0.57) SYKDKK1GSK3BMAP4K1MEN1
SCHEMBL1633028 0.84 PTK2 (0.57) MAPK8MAPK10CDK1CDK2PTK2
SCHEMBL1633311 0.84 CA2 (0.56) MAPK8MAPK10CDK1CDK2SYK
SCHEMBL1632246 0.82 SYK (0.50) MAPK8CDK1CDK2SYKDKK1
SCHEMBL1633521 0.81 BRAF (0.54) MAPK8MAPK10CDK1CDK2SYK
SCHEMBL1634389 0.81 IKBKB (0.49) MAPK8MAPK10CDK1CDK2SYK
SCHEMBL1633158 0.80 CA1 (0.55) MAPK8MAPK10CDK1CDK2DKK1
SCHEMBL13498325 0.80 IKBKB (0.54) MAPK8MAPK10CDK1CDK2SYK

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
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed