SCHEMBL28089638

SCHEMBL28089638

CC(C)NC(=O)c1c[nH]c2ncc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.49
JAK2 O60674 10/20 0.49
JAK1 P23458 9/20 0.49
SYK P43405 4/20 0.46
CYP2C9 P11712 1/20 0.46
AXL P30530 3/20 0.43
PLK4 O00444 1/20 0.43
AURKA O14965 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PRKCG P05129 1/20 0.43
INSR P06213 1/20 0.43
CDK1 P06493 1/20 0.43
FES P07332 1/20 0.43
IGF1R P08069 1/20 0.43
ROS1 P08922 1/20 0.43
FGFR1 P11362 1/20 0.43
PHKG2 P15735 1/20 0.43
FER P16591 1/20 0.43

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
SCHEMBL4120005 0.84 SYK (0.46) JAK3JAK2SYKAXLPLK4
SCHEMBL24144842 0.83 JAK3 (0.44) JAK3JAK2JAK1SYKAXL
SCHEMBL30676600 0.81 AXL (0.63) JAK3JAK2SYKAXLPLK4
SCHEMBL9887961 0.81 AURKA (0.46) JAK3JAK2SYKAXLPLK4
SCHEMBL1427263 0.81 AXL (0.63) JAK3JAK2SYKAXLPLK4
SCHEMBL1516568 0.81 DYRK1A (0.48) JAK3JAK2SYKAXLPLK4
SCHEMBL4828101 0.81 AURKA (0.54) JAK3JAK2SYKAXLPLK4
SCHEMBL28046056 0.81 BRAF (0.53) JAK3JAK2SYKCYP2C9AXL
SCHEMBL28696802 0.79 AXL (0.47) JAK3JAK2SYKAXLPLK4
SCHEMBL4831062 0.78 DYRK1A (0.48) JAK3JAK2SYKAXLPLK4

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
CN-105777756-A Heteroaryl compound and application thereof in medicines 广东东阳光药业有限公司 2016-07-20 CN disclosed