SCHEMBL19976731

SCHEMBL19976731

CCOCCN/C(=N/C(=O)c1ccc(F)c(F)c1)Nc1n[nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
FGFR1 P11362 2/20 0.40
FGFR2 P21802 2/20 0.40
FGFR3 P22607 2/20 0.40
HDAC6 Q9UBN7 4/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GSK3B P49841 8/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
CYP1A2 P05177 1/20 0.38
NTRK1 P04629 1/20 0.37
PLK4 O00444 1/20 0.37
MAPK13 O15264 1/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK1 P06493 1/20 0.37
PIM1 P11309 1/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL19976858 0.91 MAPK1 (0.46) MAPK1FGFR1FGFR2FGFR3HDAC6
SCHEMBL19976764 0.90 GSK3B (0.48) MAPK1FGFR1FGFR2FGFR3HDAC6
SCHEMBL19976768 0.89 MAPK1 (0.38) MAPK1FGFR1FGFR2FGFR3HDAC6
SCHEMBL19976812 0.88 GSK3B (0.51) MAPK1FGFR1FGFR2FGFR3HDAC6
SCHEMBL19976815 0.88 GSK3B (0.44) MAPK1HDAC6GSK3BNTRK1PLK4
SCHEMBL19976757 0.85 HDAC6 (0.39) HDAC6GSK3BABL1BCRCYP1A2
SCHEMBL19976782 0.85 MAPK1 (0.36) MAPK1FGFR1FGFR2FGFR3HDAC6
SCHEMBL19976828 0.84 GSK3B (0.49) MAPK1FGFR1FGFR2FGFR3HDAC6
SCHEMBL19976805 0.84 ALDH1A1 (0.36) MAPK1SMN1; SMN2GSK3BABL1BCR
SCHEMBL19976846 0.84 KDM4E (0.42) MAPK1HDAC6KDM4EGSK3BABL1

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