SCHEMBL6677800

SCHEMBL6677800

c1ccc(Nc2nc[nH]c3ncc(-c4ccccc4)c2-3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
SYK P43405 1/20 0.39
GSK3B P49841 3/20 0.39
CDK2 P24941 2/20 0.38
CYP3A4 P08684 4/20 0.37
MAPK1 P28482 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C19 P33261 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
TTBK1 Q5TCY1 1/20 0.37
TTBK2 Q6IQ55 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL6270213 0.91 FGFR1 (0.44) MAPTLMNAGAAHPGDCYP3A4
SCHEMBL6240412 0.91 ABCG2 (0.41) MAPTLMNAGAAHPGDSYK
SCHEMBL6683647 0.91 PDE5A (0.41) MAPTLMNAGAAHPGDGSK3B
SCHEMBL6236885 0.86 CDC7 (0.55) MAPTLMNAGAAHPGDGSK3B
SCHEMBL6684324 0.83 MKNK1 (0.45) MAPTHPGDCYP3A4MAPK1CLK4
SCHEMBL6876454 0.82 PTK2 (0.40) MAPTLMNAPIM1
SCHEMBL9986916 0.81 TNNI3K (0.59)
SCHEMBL6235443 0.79 TP53 (0.41) MAPTLMNAHPGDSYKMAPK1
SCHEMBL6237608 0.79 CDC7 (0.35) MAPTSYKGSK3BCDK2CYP3A4
SCHEMBL28549594 0.75 CYP3A4 (0.41) MAPTLMNACYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832092-B1 ORALLY ACTIVE ADENOSINE KINASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2004-11-17 EP disclosed
EP-0832091-B1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR INC (US) 2004-01-14 EP disclosed
EP-0832092-A1 ORALLY ACTIVE ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-01 EP disclosed
WO-1996040706-A1 ORALLY ACTIVE ADENOSINE KINASE INHIBITORS GENSIA-SICOR (US) 1996-12-19 WO disclosed