SCHEMBL19976766

SCHEMBL19976766

CC(C)CN/C(=N/C(=O)c1ccc(F)c(F)c1)Nc1n[nH]c2cccc(F)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.43
BCR P11274 3/20 0.43
CTSK P43235 1/20 0.41
MAPK8 P45983 2/20 0.36
MAPK10 P53779 2/20 0.36
KDR P35968 5/20 0.36
EPHB4 P54760 3/20 0.36
TEK Q02763 3/20 0.36
FGFR1 P11362 2/20 0.35
FGFR2 P21802 2/20 0.35
DYRK1A Q13627 4/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
AURKB Q96GD4 4/20 0.35
FLT4 P35916 4/20 0.35
PLK4 O00444 3/20 0.35
CDK1 P06493 3/20 0.35
MAP4K2 Q12851 3/20 0.35
MARK2 Q7KZI7 3/20 0.35
TAOK1 Q7L7X3 3/20 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
SCHEMBL19976846 0.88 KDM4E (0.42) ABL1BCRMAPK8MAPK10DYRK1A
SCHEMBL19976926 0.85 GRM4 (0.48) DYRK1A
SCHEMBL19976780 0.85 LMNA (0.33) ABL1BCRDYRK1AMAPK1LMNA
SCHEMBL19976857 0.85 MAPK1 (0.35) ABL1BCRMAPK8DYRK1AMAPK1
SCHEMBL19976758 0.84 DYRK1A (0.40) ABL1BCRKDRDYRK1AMAPK1
SCHEMBL19976726 0.84 ABL1 (0.41) ABL1BCRCTSKMAPK8MAPK10
SCHEMBL19976866 0.83 DYRK1A (0.42) MAPK8DYRK1AMAPK1AURKBFLT4
SCHEMBL19976776 0.83 GSK3B (0.48) DYRK1AMAPK1GSK3BHDAC6
SCHEMBL19976789 0.82 GSK3B (0.42) DYRK1AMAPK1LMNACDK1CDK2
SCHEMBL19976767 0.80 GSK3B (0.51) MAPK8MAPK10MAPK1LMNAGSK3B

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