SCHEMBL8975546

SCHEMBL8975546

Nc1ncnc2[nH]nc(-c3cccs3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 8/20 0.50
RET P07949 1/20 0.40
DHFR P00374 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CLK1 P49759 1/20 0.38
STK4 Q13043 1/20 0.37
STK3 Q13188 1/20 0.37
ADORA2A P29274 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37

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
SCHEMBL8321507 0.84 ADORA2A (0.39) ADKCDK5CDK5R1MEN1KMT2A
SCHEMBL8975540 0.75 PIK3CD (0.60) ADKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13826002 0.75 ABL1 (0.38) RETCDK5MEN1KMT2ACDK2
SCHEMBL408618 0.74 PIK3CD (0.55) RETCDK5PIK3CDPIK3CAPIK3CB
SCHEMBL13717957 0.73 PIK3CD (0.58) ADKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30124898 0.73 STK4 (0.61) ADKRETCDK5CLK1STK4
SCHEMBL17970714 0.72 CYP2A6 (0.37) MEN1KMT2APIK3CDPIK3CAPIK3CB
SCHEMBL5065122 0.72 PIK3CD (0.57) ADKRETCDK5PIK3CDPIK3CA
SCHEMBL30387175 0.71 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL21048476 0.70 PIK3CG (0.59) STK4STK3ADORA2APIK3CDPIK3CA

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
US-5506347-A ADENOSINE KINASE INHIBITOR GENSIA, INC. (US) 1996-04-09 US disclosed