SCHEMBL19976857

SCHEMBL19976857

CC(C)CN/C(=N/C(=O)c1ccc(F)c(F)c1)Nc1n[nH]c2c(F)cccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.35
LMNA P02545 2/20 0.35
DYRK1A Q13627 4/20 0.35
CDK2 P24941 3/20 0.35
CDK1 P06493 2/20 0.35
FLT4 P35916 2/20 0.35
MAPK8 P45983 2/20 0.35
CLK2 P49760 2/20 0.35
GSK3B P49841 2/20 0.35
CDK5 Q00535 2/20 0.35
TAOK1 Q7L7X3 2/20 0.35
SLK Q9H2G2 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
PLK4 O00444 1/20 0.35
MAPK13 O15264 1/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
MARK3 P27448 1/20 0.35

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
SCHEMBL19976781 0.90 TRPA1 (0.35) MAPK1LMNADYRK1AKDM4EHTT
SCHEMBL19976846 0.88 KDM4E (0.42) MAPK1DYRK1ACDK2CDK1FLT4
SCHEMBL19976785 0.88 MAPK1 (0.38) MAPK1DYRK1ACDK2CDK1FLT4
SCHEMBL19976766 0.85 ABL1 (0.43) MAPK1LMNADYRK1ACDK2CDK1
SCHEMBL19976768 0.84 MAPK1 (0.38) MAPK1DYRK1ACDK2CDK1FLT4
SCHEMBL19976801 0.84 TRPA1 (0.37) MAPK1DYRK1ACDK2CDK1FLT4
SCHEMBL19976780 0.83 LMNA (0.33) MAPK1LMNADYRK1AKDM4EHTT
SCHEMBL19976866 0.83 DYRK1A (0.42) MAPK1DYRK1ACDK2CDK1FLT4
SCHEMBL19976776 0.83 GSK3B (0.48) MAPK1DYRK1AGSK3BTRPA1HDAC6
SCHEMBL19976805 0.83 ALDH1A1 (0.36) MAPK1LMNADYRK1ACDK2CDK1

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-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 US disclosed