SCHEMBL4563000

SCHEMBL4563000

Cc1cccc(Nc2c(C(=O)N3CCC(O)C3)sc3c2ccc(=O)n3-c2c(F)cccc2F)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.36
HTR2C P28335 2/20 0.35
OPRM1 P35372 1/20 0.35
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
JAK2 O60674 2/20 0.35
KMT2A Q03164 1/20 0.34
HCRTR1 O43613 4/20 0.34
HCRTR2 O43614 4/20 0.34
ADORA2A P29274 3/20 0.34
ADORA2B P29275 2/20 0.34
CDK5 Q00535 1/20 0.34
DYRK1A Q13627 1/20 0.34
CDK5R1 Q15078 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
RAB9A P51151 1/20 0.33
POLB P06746 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
SCHEMBL3106090 1.00 TYK2 (0.36) TYK2HTR2COPRM1CXCR1CXCR2
SCHEMBL3120023 1.00 TYK2 (0.36) TYK2HTR2COPRM1CXCR1CXCR2
SCHEMBL3118605 0.91 HTR2C (0.36) TYK2HTR2CCXCR1CXCR2HCRTR1
SCHEMBL3119013 0.91 TYK2 (0.36) TYK2HTR2CCXCR1CXCR2JAK2
SCHEMBL3118823 0.86 HTR2C (0.39) HTR2CJAK2
SCHEMBL3120159 0.83 JAK2 (0.39) JAK2POLB
SCHEMBL3116932 0.83 RAB9A (0.42) TYK2JAK2KMT2AHCRTR1HCRTR2
SCHEMBL3120948 0.83 RAB9A (0.42) TYK2JAK2KMT2AHCRTR1HCRTR2
SCHEMBL3114743 0.79 TYK2 (0.34) TYK2HTR2CCXCR1CXCR2HCRTR1
SCHEMBL4562849 0.79 TYK2 (0.34) TYK2HTR2CCXCR1CXCR2HCRTR1

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
EP-2099805-A2 NOVEL AMINOTHIENOPYRIDINONE DERIVATIVES PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS THEREOF UCB Pharma S.A. (BE) 2009-09-16 EP disclosed
WO-2008064829-A2 NOVEL AMINOTHIENOPYRIDINONE DERIVATIVES PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS THEREOF UCB PHARMA, S.A. (BE) 2008-06-05 WO disclosed