SCHEMBL13680562

SCHEMBL13680562

Cc1cccc(-c2cnc3[nH]ccc3c2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 12/20 0.58
AXL P30530 1/20 0.58
BTK Q06187 4/20 0.56
ITK Q08881 4/20 0.56
CDK7 P50613 2/20 0.53
PLK4 O00444 1/20 0.53
DCLK1 O15075 1/20 0.53
ROCK2 O75116 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
PAK4 O96013 1/20 0.53
CHEK2 O96017 1/20 0.53
INSR P06213 1/20 0.53
CDK1 P06493 1/20 0.53
FES P07332 1/20 0.53
ROS1 P08922 1/20 0.53
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
FER P16591 1/20 0.53
CDK2 P24941 1/20 0.53

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
SCHEMBL16186619 0.82 CDK8 (0.58) CDK8AXLBTKITKCDK7
SCHEMBL4831566 0.78 CDK8 (0.66) CDK8AXLBTKITKCDK7
SCHEMBL4831501 0.78 CDK8 (0.81) CDK8AXLITKCDK7PLK4
SCHEMBL16135667 0.78 PARP10 (0.54) CDK8AXLBTKITKCDK7
SCHEMBL857038 0.77 CDK8 (0.69) CDK8AXLCDK7PLK4DCLK1
SCHEMBL13680569 0.76 NPC1 (0.54) BRD4
SCHEMBL31095069 0.76 CDK8 (0.64) CDK8AXLBTKITKCDK7
SCHEMBL29652435 0.75 DYRK1A (0.48) CDK8AXLBTKITKCDK7
SCHEMBL13854162 0.75 CDK8 (0.56) CDK8AXLCDK7PLK4DCLK1
SCHEMBL23912153 0.74 BRD4 (0.57) CDK1CDK5PIK3CGBRD4

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