SCHEMBL6820246

SCHEMBL6820246

NC(=O)C1CCCN(c2ccnc(Cl)n2)C1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 5/20 0.60
PBK Q96KB5 1/20 0.52
GPBAR1 Q8TDU6 2/20 0.48
GAA P10253 1/20 0.48
CDK9 P50750 2/20 0.47
HSD17B10 Q99714 2/20 0.45
GLA P06280 1/20 0.45
ALK Q9UM73 1/20 0.44
FPR2 P25090 1/20 0.44
SCN9A Q15858 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
ATR Q13535 1/20 0.43
ATRIP Q8WXE1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
BTK Q06187 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43

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
SCHEMBL15022110 0.88 KDM4E (0.50) EIF2AK4GPBAR1HSD17B10ALKTRPV1
SCHEMBL12184995 0.88 KDM4E (0.50) EIF2AK4GPBAR1HSD17B10ALKTRPV1
SCHEMBL12291584 0.84 TRPV1 (0.50) GAATRPV1KDM4EALDH1A1HPGD
SCHEMBL28639336 0.81 EIF2AK4 (0.43) EIF2AK4GPBAR1TRPV1BTK
SCHEMBL12185358 0.81 ALDH1A1 (0.54) GPBAR1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL2635948 0.81 ALDH1A1 (0.54) GPBAR1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL29438234 0.81 ALDH1A1 (0.54) GPBAR1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL28828266 0.80 EIF2AK4 (0.53) EIF2AK4PBK
SCHEMBL20445954 0.80 SMPD3 (0.48) GPBAR1TRPV1ALDH1A1BTK
SCHEMBL1290812 0.79 GPBAR1 (0.57) EIF2AK4PBKGPBAR1GAACDK9

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-2004074287-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-09-02 WO disclosed