SCHEMBL3933141

SCHEMBL3933141

Cc1cc2c(cn1)ncn2-c1cc(OCc2ccccc2C(F)(F)F)c(C(N)=O)s1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.78
NEK2 P51955 4/20 0.78
CSF1R P07333 3/20 0.78
KDR P35968 3/20 0.78
LIMK1 P53667 3/20 0.78
STK3 Q13188 3/20 0.78
DYRK1A Q13627 3/20 0.78
BRSK1 Q8TDC3 3/20 0.78
PLK3 Q9H4B4 3/20 0.78
CLK4 Q9HAZ1 3/20 0.78
MAP4K5 Q9Y4K4 3/20 0.78
MAP4K4 O95819 2/20 0.78
SLK Q9H2G2 2/20 0.78
PIM1 P11309 2/20 0.78
PKN2 Q16513 2/20 0.78
HIPK4 Q8NE63 2/20 0.78
AURKB Q96GD4 2/20 0.78
CAMK2B Q13554 1/20 0.78
CAMK2G Q13555 1/20 0.78
CAMK2D Q13557 1/20 0.78

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
SCHEMBL3923132 0.93 PLK1 (0.78) PLK1NEK2CSF1RKDRLIMK1
SCHEMBL3736522 0.90 PLK1 (0.80) PLK1NEK2CSF1RKDRLIMK1
SCHEMBL3749144 0.90 PLK1 (0.78) PLK1NEK2CSF1RKDRLIMK1
SCHEMBL3732003 0.89 PLK1 (0.77) PLK1NEK2CSF1RKDRLIMK1
SCHEMBL3742272 0.88 PLK1 (0.72) PLK1NEK2CSF1RKDRLIMK1
SCHEMBL4551324 0.88 PLK1 (1.00) PLK1NEK2CSF1RKDRLIMK1
SCHEMBL3734449 0.87 PLK1 (0.82) PLK1NEK2CSF1RKDRLIMK1
Gw843682X SCHEMBL1286884 0.87 PLK1 (1.00) PLK1NEK2CSF1RKDRLIMK1
Gw843682X SCHEMBL29432471 0.87 PLK1 (1.00) PLK1NEK2CSF1RKDRLIMK1
Gw843682X SCHEMBL31416068 0.87 PLK1 (1.00) PLK1NEK2CSF1RKDRLIMK1

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-2009003911-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2009-01-08 WO disclosed