SCHEMBL19976780

SCHEMBL19976780

CC(C)CN/C(=N/C(=O)c1ccc(F)c(F)c1)Nc1n[nH]c2c(O)ccc(F)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
IDO1 P14902 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
MAPK1 P28482 3/20 0.32
ALPL P05186 2/20 0.32
DYRK1A Q13627 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HTT P42858 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31

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
SCHEMBL19976766 0.85 ABL1 (0.43) LMNAABL1BCRMAPK1DYRK1A
SCHEMBL16752857 0.84 CHRNA1 (0.34) JAK2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL16752855 0.84 CHRNA1 (0.34) JAK2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL19976857 0.83 MAPK1 (0.35) LMNAABL1BCRMAPK1DYRK1A
SCHEMBL19976758 0.80 DYRK1A (0.40) LMNAABL1BCRMAPK1ALPL
SCHEMBL19976846 0.80 KDM4E (0.42) ABL1BCRMAPK1DYRK1AKDM4E
SCHEMBL19976781 0.80 TRPA1 (0.35) LMNAABL1BCRMAPK1DYRK1A
SCHEMBL18558606 0.80 LMNA (0.40) LMNAIDO1ABL1BCRMAPK1
SCHEMBL19976866 0.80 DYRK1A (0.42) MAPK1DYRK1AJAK3NTRK1
SCHEMBL18558419 0.79 LMNA (0.36) LMNAMAPK1ALPLDYRK1AALDH1A1

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