SCHEMBL3288291

SCHEMBL3288291

Cc1cc(Nc2nc(-c3cccc(CNC=O)c3)cc3nccn23)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 6/20 0.41
SYK P43405 5/20 0.38
AURKB Q96GD4 3/20 0.38
RET P07949 3/20 0.38
MAP4K4 O95819 2/20 0.38
PKN2 Q16513 2/20 0.38
SLK Q9H2G2 2/20 0.38
AURKA O14965 2/20 0.38
JAK2 O60674 2/20 0.38
LCK P06239 2/20 0.38
KDR P35968 2/20 0.38
BTK Q06187 2/20 0.38
INSR P06213 1/20 0.38
LYN P07948 1/20 0.38
ROS1 P08922 1/20 0.38
SRC P12931 1/20 0.38
FER P16591 1/20 0.38
BLK P51451 1/20 0.38
RPS6KA3 P51812 1/20 0.38
PRKCD Q05655 1/20 0.38

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
SCHEMBL3028149 0.89 MAP4K2 (0.41) MAP4K2SYKAURKBRETMAP4K4
SCHEMBL3285891 0.86 PAK1 (0.43) IGF1R
SCHEMBL3045113 0.86 KARS1 (0.45) MAP4K2SYKAURKBRETMAP4K4
SCHEMBL3031930 0.85 MAP4K4 (0.41) MAP4K2SYKAURKBRETMAP4K4
SCHEMBL3288306 0.85 PLK4 (0.40) MAP4K2AURKBRETAURKAPLK4
SCHEMBL13221395 0.84 MAP4K2 (0.41) MAP4K2SYKAURKBRETMAP4K4
SCHEMBL3038530 0.83 MAP4K2 (0.38) MAP4K2SYKAURKBRETMAP4K4
SCHEMBL3039707 0.83 RET (0.49) MAP4K2SYKAURKBRETMAP4K4
SCHEMBL13221083 0.83 GSK3B (0.53) MAP4K2SYKAURKBRETMAP4K4
SCHEMBL3046795 0.83 RET (0.45) MAP4K2SYKAURKBRETMAP4K4

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-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed