SCHEMBL20122616

SCHEMBL20122616

CCC(C)(C)c1cc(C)c(-c2cnn(C)c2)nn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
JAK3 P52333 2/20 0.40
PIM1 P11309 2/20 0.35
AXL P30530 7/20 0.34
KDR P35968 1/20 0.34
EPHB4 P54760 1/20 0.34
TEK Q02763 1/20 0.34
CNR2 P34972 2/20 0.34
PGK1 P00558 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
BAZ2B Q9UIF8 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
MAP4K1 Q92918 2/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
STAT3 P40763 1/20 0.32

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
SCHEMBL17816262 0.85 KDM5B (0.38) PIM1AXLKDREPHB4TEK
SCHEMBL17816457 0.76 PIM1 (0.41) PIM1AXLBAZ2BBAZ2A
SCHEMBL21695575 0.67 JAK2 (0.41) JAK2JAK1TYK2JAK3
SCHEMBL19538827 0.65 AXL (0.62) PIM1AXL
SCHEMBL16701134 0.65 AXL (0.42) PIM1AXLKDREPHB4TEK
SCHEMBL19176085 0.65 JAK2 (0.35) JAK2JAK1TYK2JAK3
SCHEMBL19000359 0.65 HRH4 (0.33)
SCHEMBL26242520 0.64 PIM1 (0.39) PIM1AXLKDREPHB4TEK
SCHEMBL15074148 0.64 AXL (0.48) PIM1AXLPIK3CAPIK3CG
SCHEMBL16561261 0.63 JAK2 (0.44) JAK2JAK1TYK2JAK3PIM1

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
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed