SCHEMBL8469368

SCHEMBL8469368

CCCCCNc1nc[nH]c2nccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.44
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
S1PR2 O95136 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
XDH P47989 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH4 Q9H3N8 2/20 0.39
CDC7 O00311 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38

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
SCHEMBL11828418 0.99 UTS2R (0.45) UTS2RLMNANPSR1S1PR2SMN1; SMN2
SCHEMBL11835885 0.75 UTS2R (0.43) UTS2RLMNANPSR1S1PR2SMN1; SMN2
SCHEMBL11827489 0.74 UTS2R (0.44) UTS2RLMNANPSR1S1PR2SMN1; SMN2
SCHEMBL8706438 0.72 CDK2 (0.50) CYP1A2PRKACACDK2CCNB2CDK1
SCHEMBL4354441 0.72 CYP1A2 (0.50) UTS2RLMNACYP3A4CYP2D6CYP1A2
SCHEMBL6260069 0.71 XDH (0.38) UTS2RLMNANPSR1S1PR2SMN1; SMN2
SCHEMBL1713153 0.71 CTSL (0.42) UTS2RLMNANPSR1S1PR2SMN1; SMN2
SCHEMBL9669758 0.70 XDH (0.50) LMNANPSR1S1PR2SMN1; SMN2XDH
SCHEMBL1713334 0.69 CCNB2 (0.40) UTS2RLMNANPSR1S1PR2SMN1; SMN2
SCHEMBL6923933 0.68 HRH4 (0.55) HRH4MAP4K4TLR8DNM2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496617-B1 Adenosine kinase inhibitors METABASIS THERAPEUTICS INC (US) 1999-12-01 EP disclosed
EP-0682519-A4 ADENOSINE KINASE INHIBITORS. GENSIA INC (US) 1997-12-17 EP disclosed
US-5646128-A TREATING INFLAMMATION, SEPSIS, SEPTIC SHOCK, BURNS GENSIA, INC. (US) 1997-07-08 US disclosed
EP-0682519-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1995-11-22 EP disclosed
WO-1994017803-A9 ADENOSINE KINASE INHIBITORS 1994-09-29 WO disclosed
WO-1994017803-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1994-08-18 WO disclosed
WO-1992012718-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1992-08-06 WO disclosed
EP-0496617-A1 Adenosine kinase inhibitors GENSIA, INC. (US) 1992-07-29 EP disclosed