SCHEMBL8469366

SCHEMBL8469366

CCCCCNc1ncnc2[nH]ccc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TTBK1 Q5TCY1 11/20 0.57
TTBK2 Q6IQ55 11/20 0.57
BTK Q06187 2/20 0.56
TNNI3K Q59H18 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46

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
SCHEMBL11828413 0.98 S1PR2 (0.59) S1PR2LMNASMN1; SMN2NPSR1TTBK1
Nonapyrimine SCHEMBL29385365 0.98 S1PR2 (0.59) S1PR2LMNASMN1; SMN2NPSR1TTBK1
Nonapyrimine SCHEMBL2110854 0.98 S1PR2 (0.59) S1PR2LMNASMN1; SMN2NPSR1TTBK1
SCHEMBL16266363 0.89 TTBK1 (0.61) TTBK1TTBK2BTKTNNI3KALDH1A1
SCHEMBL16266428 0.82 LMNA (0.56) LMNASMN1; SMN2TTBK1TTBK2BTK
SCHEMBL27545719 0.82 TTBK1 (0.54) TTBK1TTBK2BTKHDAC6
SCHEMBL22909512 0.82 TTBK1 (0.57) TTBK1TTBK2BTKTNNI3KHDAC6
SCHEMBL23409028 0.81 TTBK1 (0.59) TTBK1TTBK2BTKTNNI3KHDAC6
SCHEMBL30485458 0.81 TTBK1 (0.62) TTBK1TTBK2BTKHDAC6
SCHEMBL23409027 0.81 TTBK1 (0.62) TTBK1TTBK2BTKHDAC6

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