SCHEMBL11299368

SCHEMBL11299368

O=c1nccnc2ccsc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.50
PARP1 P09874 1/20 0.50
AXL P30530 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.37
ADORA2A P29274 6/20 0.36
ADORA1 P30542 5/20 0.36
SPR P35270 1/20 0.36
KDR P35968 1/20 0.35
MAPT P10636 2/20 0.35
ADORA2B P29275 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTR2C P28335 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
PIP4K2C Q8TBX8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL27915712 0.74 PDPK1 (0.46) PDPK1PARP1AXLMKNK1MKNK2
SCHEMBL2422995 0.71 ADORA2A (0.41) PDPK1PARP1AXLMKNK1MKNK2
SCHEMBL3590212 0.71 ALDH1A1 (0.42) PDPK1PARP1MEN1KMT2AMAPT
SCHEMBL29468124 0.70 AXL (0.44) PDPK1PARP1AXLMKNK1MKNK2
SCHEMBL29368189 0.70 AXL (0.44) PDPK1PARP1AXLMKNK1MKNK2
SCHEMBL31324910 0.70 AXL (0.44) PDPK1PARP1AXLMKNK1MKNK2
SCHEMBL29631094 0.70 AXL (0.44) PDPK1PARP1AXLMKNK1MKNK2
SCHEMBL29365402 0.70 AXL (0.53) PDPK1PARP1AXLMKNK1MKNK2
SCHEMBL21393430 0.70 AXL (0.44) PDPK1PARP1AXLMKNK1MKNK2
SCHEMBL4037241 0.70 AXL (0.44) PDPK1PARP1AXLMKNK1MKNK2

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-4359420-A HYPOTENSIVE AGENT, MUSCLE RELAXANTS HOFFMANN-LA ROCHE INC. (US) 1982-11-16 US disclosed