SCHEMBL20564684

SCHEMBL20564684

Fc1cnc2[nH]cc(-c3ccsc3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.67
CDK2 P24941 2/20 0.52
CCNT1 O60563 1/20 0.52
CCNA2 P20248 1/20 0.52
CDK9 P50750 1/20 0.52
AXL P30530 2/20 0.47
DYRK1A Q13627 7/20 0.46
CLK1 P49759 6/20 0.46
CLK2 P49760 2/20 0.46
DYRK2 Q92630 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
IMPDH2 P12268 1/20 0.46
TNIK Q9UKE5 1/20 0.46
MAP3K11 Q16584 2/20 0.45
AAK1 Q2M2I8 1/20 0.45
KDR P35968 2/20 0.44
JAK2 O60674 2/20 0.43
PLK4 O00444 1/20 0.43
AURKA O14965 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
SCHEMBL8314546 0.79 CDK8 (0.77) CDK8CDK2CCNT1CCNA2CDK9
SCHEMBL15799700 0.76 CDK8 (0.62) CDK8CDK2CCNT1CCNA2CDK9
SCHEMBL3761982 0.76 DYRK1A (0.75) CDK8CDK2CCNT1CCNA2CDK9
SCHEMBL13745264 0.76 CDK8 (0.72) CDK8CDK2CCNT1CCNA2CDK9
SCHEMBL12763233 0.76 CDK8 (0.76) CDK8CDK2CCNT1CCNA2CDK9
SCHEMBL15799357 0.76 CDK8 (0.58) CDK8CDK2CCNT1CCNA2CDK9
SCHEMBL17616963 0.75 CDK8 (0.60) CDK8CDK2CCNT1CCNA2CDK9
SCHEMBL858219 0.75 CDK8 (0.60) CDK8CDK2CCNT1CCNA2CDK9
SCHEMBL20561681 0.74 DYRK1A (0.43) CDK8CDK2CCNT1CDK9AXL
SCHEMBL20561552 0.74 DYRK1A (0.43) CDK8CDK2CCNT1CDK9AXL

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-2018210661-A1 HETEROARYL COMPOUNDS AS AGROCHEMICAL FUNGICIDES BASF SE (DE) 2018-11-22 WO disclosed