SCHEMBL16631757

SCHEMBL16631757

CCn1cc2c(=O)cc[nH]c2nc1=S

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.46
ADORA1 P30542 1/20 0.46
KDM4E B2RXH2 1/20 0.35
DYRK1A Q13627 1/20 0.33
CCR8 P51685 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
KMT2A Q03164 4/20 0.33
CCNK O75909 2/20 0.32
CDK12 Q9NYV4 2/20 0.32
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
P2RX3 P56373 1/20 0.30

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
SCHEMBL16631753 0.85 ADORA2A (0.49) ADORA2AADORA1KDM4EDYRK1ACCR8
SCHEMBL18081928 0.80 ADORA2A (0.50) ADORA2AADORA1KDM4EDYRK1ACCR8
SCHEMBL16631554 0.80 CCNK (0.32) CCNKCDK12
SCHEMBL18080575 0.77 ADORA2A (0.48) ADORA2AADORA1KDM4EDYRK1ACCR8
SCHEMBL16631754 0.75 MEN1 (0.33) ADORA2AADORA1KDM4EKMT2AALDH1A1
SCHEMBL16631764 0.74 LMNA (0.33) ADORA2AADORA1KDM4EKMT2AALDH1A1
SCHEMBL16631765 0.74 NPSR1 (0.33) ADORA2AADORA1KDM4EALDH1A1
SCHEMBL18081979 0.70 ADORA2A (0.53) ADORA2AADORA1KDM4EDYRK1ACCR8
SCHEMBL16631759 0.68 KMT2A (0.32) KMT2AALDH1A1MEN1LMNA
SCHEMBL18080573 0.67 ADORA2A (0.50) ADORA2AADORA1KDM4EDYRK1ACCR8

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed