SCHEMBL19976758

SCHEMBL19976758

CC(C)CN/C(=N/C(=O)c1ccc(F)c(F)c1)Nc1n[nH]c2cncc(Cl)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.40
LMNA P02545 1/20 0.37
MAPK1 P28482 10/20 0.36
MAPK3 P27361 3/20 0.35
ALPL P05186 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
KDR P35968 2/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
LYN P07948 1/20 0.34
KIT P10721 1/20 0.34
SRC P12931 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
FLT3 P36888 1/20 0.34
BLK P51451 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL19976875 0.88 HDAC6 (0.35) MAPK1MAPK3HDAC6ABL1BCR
SCHEMBL19976877 0.85 MAPK1 (0.40) MAPK1MAPK3HDAC6ABL1BCR
SCHEMBL19976849 0.85 HDAC6 (0.36) MAPK1MAPK3ALPLHDAC6ABL1
SCHEMBL19976789 0.84 GSK3B (0.42) DYRK1ALMNAMAPK1ALPLHDAC6
SCHEMBL19976766 0.84 ABL1 (0.43) DYRK1ALMNAMAPK1HDAC6ABL1
SCHEMBL19976776 0.83 GSK3B (0.48) DYRK1AMAPK1HDAC6
SCHEMBL19976846 0.81 KDM4E (0.42) DYRK1AMAPK1HDAC6ABL1BCR
SCHEMBL19976780 0.80 LMNA (0.33) DYRK1ALMNAMAPK1ALPLABL1
SCHEMBL19976866 0.80 DYRK1A (0.42) DYRK1AMAPK1FLT4FLT3
SCHEMBL18558419 0.80 LMNA (0.36) DYRK1ALMNAMAPK1ALPLHDAC6

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