SCHEMBL8596254

SCHEMBL8596254

COCCNCc1cc(F)cc(OC2CCN(CC(CN)n3cc(-c4ncnc5[nH]ccc45)cn3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.42
AXL P30530 4/20 0.42
TYRO3 Q06418 4/20 0.41
FGFR1 P11362 2/20 0.41
KDR P35968 1/20 0.41
MERTK Q12866 4/20 0.40
JAK1 P23458 9/20 0.39
JAK3 P52333 3/20 0.39
DAPK3 O43293 2/20 0.39
PAK4 O96013 2/20 0.39
ABL1 P00519 2/20 0.39
RET P07949 2/20 0.39
LTK P29376 2/20 0.39
CSNK1A1 P48729 2/20 0.39
CLK2 P49760 2/20 0.39
TNK2 Q07912 2/20 0.39
ROCK1 Q13464 2/20 0.39
DYRK1A Q13627 2/20 0.39
IKBKE Q14164 2/20 0.39
NTRK3 Q16288 2/20 0.39

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
SCHEMBL6126061 0.93 TYRO3 (0.51) JAK2AXLTYRO3FGFR1KDR
SCHEMBL9947530 0.88 TYRO3 (0.48) JAK2AXLTYRO3FGFR1KDR
SCHEMBL8583196 0.88 JAK2 (0.44) JAK2AXLTYRO3FGFR1KDR
SCHEMBL8583522 0.88 JAK2 (0.44) JAK2AXLTYRO3FGFR1KDR
SCHEMBL8583535 0.87 JAK2 (0.51) JAK2AXLTYRO3FGFR1MERTK
SCHEMBL8583199 0.87 JAK2 (0.51) JAK2AXLTYRO3FGFR1MERTK
SCHEMBL8596547 0.86 TYRO3 (0.47) JAK2AXLTYRO3FGFR1KDR
SCHEMBL8583537 0.86 JAK2 (0.51) JAK2AXLTYRO3FGFR1MERTK
SCHEMBL8597086 0.86 TYRO3 (0.46) JAK2AXLTYRO3FGFR1KDR
SCHEMBL8586853 0.86 JAK2 (0.43) JAK2AXLTYRO3FGFR1KDR

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
WO-2012068440-A1 HETEROCYCLIC-SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRIMIDINES AS JAK INHIBITORS INCYTE CORPORATION (US) 2012-05-24 WO disclosed