SCHEMBL7236449

SCHEMBL7236449

Cc1ccnc(-n2cnc(N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 3/20 0.36
▸ BRD9 Q9H8M2 1/20 0.35
▸ AAK1 Q2M2I8 7/20 0.33
▸ NR1H4 Q96RI1 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ ACACA Q13085 1/20 0.32
▸ ATR Q13535 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ CYP17A1 P05093 1/20 0.31

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
SCHEMBL7844205 0.81 BRD9 (0.35) CPB2BRD9AAK1NR1H4L3MBTL1
SCHEMBL7833391 0.74 PLAU (0.58) CPB2
Hydrochloric Acid SCHEMBL7238516 0.73 PLAU (0.56) CPB2
SCHEMBL7238064 0.73 AAK1 (0.41) AAK1ACACBACACA
SCHEMBL7229865 0.72 CNR1 (0.43) BRD9AAK1ACACBACACA
SCHEMBL6432735 0.70 ADRA2A (0.46) NR1H4
SCHEMBL7231006 0.70 AAK1 (0.45) AAK1
SCHEMBL7239864 0.70 SYK (0.41) —
SCHEMBL7230679 0.67 PPARG (0.37) AAK1
SCHEMBL7846512 0.67 SYK (0.47) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6521643-B1 Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 — — US disclosed
EP-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 — — EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 — — WO disclosed
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