SCHEMBL13680992

SCHEMBL13680992

O=CCCc1csc(-c2cnc3[nH]ccc3c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
CDK8 P49336 10/20 0.45
AXL P30530 1/20 0.44
RIPK1 Q13546 4/20 0.42
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
NUDT1 P36639 1/20 0.40
CDK7 P50613 2/20 0.39
KDR P35968 2/20 0.39
CCNT1 O60563 1/20 0.39
CCND1 P24385 1/20 0.39
CCNC P24863 1/20 0.39
CDK9 P50750 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39
CDK6 Q00534 1/20 0.39

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
SCHEMBL13680986 0.81 GUSB (0.45) KLKB1
SCHEMBL13681057 0.75 EIF4E (0.38)
SCHEMBL13680983 0.75 CDK8 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGCDK8
SCHEMBL13681049 0.74 LMNA (0.38)
SCHEMBL13680621 0.74 PIK3CA (0.55) PIK3CDPIK3CAPIK3CBPIK3CGCDK8
SCHEMBL13681035 0.74 LMNA (0.38)
SCHEMBL13680955 0.74 GAA (0.42)
SCHEMBL13680953 0.74 LMNA (0.41)
SCHEMBL13681052 0.73 HPGDS (0.54)
SCHEMBL13680981 0.72 GSK3B (0.46) CDK8CDK7KDRCDK9ROCK2

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed