SCHEMBL19983428

SCHEMBL19983428

Fc1cccc2c(S)ccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 3/20 0.47
COPS5 Q92905 3/20 0.47
PARP1 P09874 1/20 0.44
PRKD3 O94806 2/20 0.41
MAP4K4 O95819 2/20 0.41
CDK1 P06493 2/20 0.41
CSF1R P07333 2/20 0.41
CDK2 P24941 2/20 0.41
FLT4 P35916 2/20 0.41
CLK2 P49760 2/20 0.41
MAPK12 P53778 2/20 0.41
CSNK2A1 P68400 2/20 0.41
CDK5 Q00535 2/20 0.41
STK3 Q13188 2/20 0.41
TAOK1 Q7L7X3 2/20 0.41
PIM3 Q86V86 2/20 0.41
HIPK4 Q8NE63 2/20 0.41
AURKB Q96GD4 2/20 0.41
HIPK2 Q9H2X6 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41

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
SCHEMBL29221148 0.98 PSMD14 (0.46) PSMD14COPS5PARP1PRKD3MAP4K4
SCHEMBL6615706 0.76 NR4A2 (0.61) PARP1PRKD3MAP4K4CDK1CSF1R
SCHEMBL3272431 0.76 PSMD14 (0.61) PSMD14COPS5PARP1PRKD3MAP4K4
SCHEMBL3712379 0.76 KDM4E (0.46) PSMD14COPS5PARP1PRKD3MAP4K4
SCHEMBL30543147 0.76 KDM4E (0.53) PARP1PRKD3MAP4K4CDK1CSF1R
SCHEMBL1258962 0.76 KDM4E (0.52) PARP1PRKD3MAP4K4CDK1CSF1R
SCHEMBL29933523 0.76 KDM4E (0.46) PSMD14COPS5PARP1PRKD3MAP4K4
SCHEMBL317537 0.76 KDM4E (0.53) PARP1PRKD3MAP4K4CDK1CSF1R
SCHEMBL3829932 0.76 CCR1 (0.63) PARP1PRKD3MAP4K4CDK1CSF1R
SCHEMBL27082587 0.74 PARP1 (0.43) PSMD14COPS5PARP1PRKD3MAP4K4

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-2018053126-A1 INHIBITION OF BMP SIGNALING, COMPOUNDS, COMPOSITIONS AND USES THEREOF VANDERBILT UNIVERSITY (US) 2018-03-22 WO disclosed