SCHEMBL4775168

SCHEMBL4775168

O=C(O)Oc1cc2c(NC(=O)c3ccoc3)n[nH]c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
ADORA3 P0DMS8 2/20 0.37
LCK P06239 1/20 0.36
RAB9A P51151 1/20 0.36
TMIGD3 P0DMS9 1/20 0.35
ADORA1 P30542 1/20 0.35
GSK3B P49841 4/20 0.35
GSK3A P49840 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
PTK2 Q05397 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PARP1 P09874 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
LRRK2 Q5S007 2/20 0.34

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
SCHEMBL4633594 0.85 FGFR1 (0.48) ADORA3RAB9AGSK3BFGFR1FGFR2
SCHEMBL4632585 0.84 KCNK3 (0.41) KCNK3KCNK9ADORA3LCKRAB9A
SCHEMBL4631749 0.83 CDK2 (0.49) KCNK3GSK3BFGFR1FGFR2FGFR3
SCHEMBL4632650 0.82 HDAC6 (0.42) KCNK3KCNK9RAB9AFGFR1FGFR2
SCHEMBL4632541 0.81 HPGD (0.42) KCNK3KCNK9ADORA3LCKRAB9A
SCHEMBL4632622 0.80 HDAC6 (0.53) KCNK9ADORA3RAB9AHDAC6CDK7
SCHEMBL4631794 0.79 AURKA (0.46) KCNK3RAB9AFGFR1FGFR3CDK7
SCHEMBL4632536 0.79 FLT3 (0.51) KCNK3RAB9AGSK3BFGFR1FGFR2
SCHEMBL4631888 0.79 NPC1 (0.42) ADORA3RAB9AADORA1FGFR1FGFR2
SCHEMBL4632668 0.79 CDK7 (0.50) KCNK3RAB9ACDK7CDK2PIM3

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
EP-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP claimed