SCHEMBL9900202

SCHEMBL9900202

CC(C)c1nc2cscc2nc1Sc1nccn1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 1/20 0.32
GCK P35557 3/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 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
SCHEMBL9905747 0.77 KDM4E (0.40) KMT2AKDM4EMEN1HPGDHSD17B10
SCHEMBL19160402 0.71 KMT2A (0.37) KMT2AKDM4EMEN1HPGDHSD17B10
SCHEMBL6992442 0.63 KMT2A (0.41) KMT2AKDM4EMEN1HPGDHSD17B10
SCHEMBL754948 0.63 TDP1 (0.43) KMT2AKDM4EMEN1HPGDHSD17B10
SCHEMBL6306880 0.62 GLP1R (0.53)
SCHEMBL9925837 0.61
SCHEMBL9901079 0.61 GLP1R (0.36) TDP1
SCHEMBL8938457 0.61 LPO (0.48) KMT2AKDM4EMEN1HPGDHSD17B10
SCHEMBL19160376 0.61 AXL (0.41) KMT2AKDM4EMEN1HPGDHSD17B10
SCHEMBL8724916 0.61 GCK (0.45) KMT2AKDM4EMEN1HPGDHSD17B10

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
WO-2012076966-A1 SUBSTITUTED THIENO [3,4-B] PYRAZINE COMPOUNDS LUPIN LIMITED (IN) 2012-06-14 WO claimed