SCHEMBL19976785

SCHEMBL19976785

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 15/20 0.38
DYRK1A Q13627 2/20 0.37
MAPK3 P27361 1/20 0.36
TRPA1 O75762 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PLK4 O00444 1/20 0.34
MAPK13 O15264 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
CDK1 P06493 1/20 0.34
PIM1 P11309 1/20 0.34
CDK2 P24941 1/20 0.34
MARK3 P27448 1/20 0.34
FLT4 P35916 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
CDK8 P49336 1/20 0.34
CLK2 P49760 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL19976857 0.88 MAPK1 (0.35) MAPK1DYRK1AMAPK3TRPA1HDAC6
SCHEMBL19976801 0.86 TRPA1 (0.37) MAPK1DYRK1ATRPA1HDAC6PLK4
SCHEMBL19976768 0.81 MAPK1 (0.38) MAPK1DYRK1ATRPA1HDAC6PLK4
SCHEMBL19976805 0.80 ALDH1A1 (0.36) MAPK1DYRK1ATRPA1PLK4MAPK13
SCHEMBL19976769 0.79 GSK3B (0.51) MAPK1DYRK1ATRPA1HDAC6MAPK8
SCHEMBL19976781 0.78 TRPA1 (0.35) MAPK1DYRK1ATRPA1
SCHEMBL19976804 0.77 TRPA1 (0.37) DYRK1ATRPA1HDAC6PLK4MAPK13
SCHEMBL19976846 0.75 KDM4E (0.42) MAPK1DYRK1AHDAC6PLK4MAPK13
SCHEMBL9920713 0.75 CCNA2 (0.40) MAPK1CDK2PRKAA1NR1H4
SCHEMBL9939792 0.74 CES1 (0.35) MAPK1MAPK3MAP4K4CDK1CDK2

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