SCHEMBL19976875

SCHEMBL19976875

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.35
MAPK1 P28482 8/20 0.34
MAPK3 P27361 2/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
KDR P35968 4/20 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
KCNQ3 O43525 2/20 0.32
KCNQ2 O43526 2/20 0.32
KCNQ5 Q9NR82 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL19976849 0.89 HDAC6 (0.36) HDAC6MAPK1MAPK3ABL1BCR
SCHEMBL19976758 0.88 DYRK1A (0.40) HDAC6MAPK1MAPK3ABL1BCR
SCHEMBL19976877 0.87 MAPK1 (0.40) HDAC6MAPK1MAPK3ABL1BCR
SCHEMBL19976757 0.81 HDAC6 (0.39) HDAC6ABL1BCRFLT4FLT3
SCHEMBL19976802 0.80 KDR (0.36) MAPK1ABL1BCRKDRLCK
SCHEMBL19976800 0.78 GSK3B (0.43) HDAC6MAPK1FLT4GSK3B
SCHEMBL18558427 0.77 KCNQ3 (0.35) ABL1BCRKCNQ3KCNQ2KCNQ5
SCHEMBL9920876 0.75 LMNA (0.33) ABL1BCRKCNQ3KCNQ2KCNQ5
SCHEMBL9920898 0.75 PRKAB2 (0.39) MAPK1ABL1BCR
SCHEMBL19976886 0.74 GSK3B (0.43) HDAC6MAPK1CYP1A2GSK3B

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