SCHEMBL1633882

SCHEMBL1633882

COc1cc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4)cc3n2)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.47
SRC P12931 2/20 0.47
ZAP70 P43403 2/20 0.47
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
PRKCZ Q05513 1/20 0.40
FGFR1 P11362 1/20 0.38
FGFR4 P22455 1/20 0.38
KDR P35968 1/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
LCK P06239 1/20 0.38
ROCK1 Q13464 1/20 0.38
CHEK1 O14757 3/20 0.37
AXL P30530 1/20 0.37

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
SCHEMBL1634643 0.92 SYK (0.53) SYKSRCZAP70JAK2JAK1
SCHEMBL1571587 0.92 CYP1A2 (0.44) SYKSRCZAP70CYP1A1CYP1A2
SCHEMBL1632924 0.88 PRKCZ (0.39) SYKJAK2JAK1TYK2JAK3
SCHEMBL1633274 0.88 PRKCQ (0.45) SYKSRCZAP70JAK2JAK1
SCHEMBL1633716 0.87 PRKCZ (0.38) SYKJAK2JAK1TYK2JAK3
SCHEMBL13335980 0.85 SYK (0.44) SYKJAK2JAK1TYK2JAK3
SCHEMBL13336156 0.85 BRAF (0.41) SYKJAK2JAK1TYK2JAK3
SCHEMBL13363268 0.85 PRKCZ (0.39) SYKJAK2JAK1TYK2JAK3
SCHEMBL1571934 0.84 JAK2 (0.42) SYKCYP1A2JAK2JAK1TYK2
SCHEMBL13336215 0.84 BRAF (0.41) SYKJAK2JAK1TYK2JAK3

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