SCHEMBL8325830

SCHEMBL8325830

COc1ccc(-c2n[nH]c3ncnc(Cl)c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAT2A P31153 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
EGFR P00533 3/20 0.42
CDK1 P06493 1/20 0.42
DYRK1A Q13627 2/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
LIMK1 P53667 1/20 0.41
JAK2 O60674 1/20 0.41

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
SCHEMBL149528 0.84 KDR (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2EGFR
SCHEMBL12712688 0.83 NUDT14 (0.48) NPC1RAB9APIK3CDPIK3CAPIK3CB
SCHEMBL8318622 0.83 SRC (0.44) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL18235468 0.81 KDR (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL4928638 0.80 YTHDC1 (0.43) MAPTNPSR1ALDH1A1LMNASMN1; SMN2
SCHEMBL6684639 0.77 LMNA (0.57) MAPTNPSR1KMT2AMEN1ALDH1A1
SCHEMBL8115114 0.76 EGFR (0.70) EGFRCDK1ABL1SRC
SCHEMBL6681340 0.76 FGFR1 (0.57) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL8325826 0.74 ABL1 (0.60) MAPTNPSR1ALDH1A1LMNASMN1; SMN2
SCHEMBL2257351 0.74 MAPT (0.56) MAPTNPSR1KMT2AALDH1A1LMNA

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