SCHEMBL9905747

SCHEMBL9905747

Cn1ccnc1Sc1nc2cscc2nc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 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
GLP1R P43220 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GCK P35557 3/20 0.31
LMNA P02545 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
SCHEMBL9900202 0.77 KMT2A (0.40) KDM4EKMT2AMEN1HPGDHSD17B10
SCHEMBL19160402 0.70 KMT2A (0.37) KDM4EKMT2AMEN1HPGDHSD17B10
SCHEMBL9900107 0.69 GLP1R (0.48) HSD17B10GLP1RNPSR1NPC1RAB9A
Hydrochloric Acid SCHEMBL10395304 0.64 NPC1 (0.44) KDM4EKMT2ANPSR1NPC1RAB9A
SCHEMBL9900753 0.60 ALDH1A1 (0.46) KDM4EHPGDHSD17B10TDP1NPSR1
SCHEMBL9900886 0.60 GLP1R (0.35) KDM4ETDP1GLP1RALDH1A1
SCHEMBL8938457 0.60 LPO (0.48) KDM4EKMT2AMEN1HPGDHSD17B10
SCHEMBL19160376 0.60 AXL (0.41) KDM4EKMT2AMEN1HPGDHSD17B10
SCHEMBL8724916 0.60 GCK (0.45) KDM4EKMT2AMEN1HPGDHSD17B10
SCHEMBL9048818 0.60 MYC (0.42) KDM4EKMT2AMEN1HPGDHSD17B10

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