SCHEMBL5756095

SCHEMBL5756095

O=C1NC(=O)C(c2c3ccccc3nn2CCCO)=C1c1cn(-c2cccnc2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.61
PRKCB P05771 7/20 0.61
PRKCA P17252 7/20 0.61
PRKCG P05129 6/20 0.61
KCNH2 Q12809 5/20 0.61
PRKCZ Q05513 3/20 0.61
PRKCD Q05655 3/20 0.61
IDH1 O75874 1/20 0.48
CAMK2D Q13557 1/20 0.47
CDK4 P11802 1/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
CCND1 P24385 1/20 0.45

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
SCHEMBL3779590 0.87 GSK3B (0.79) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL6984319 0.85 GSK3B (0.78) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL1127978 0.82 GSK3B (0.63) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5756894 0.81 GSK3B (0.76) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL4337272 0.81 GSK3B (0.72) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL1127953 0.80 GSK3B (0.68) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL3780370 0.78 GSK3B (0.79) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL4337262 0.78 GSK3B (0.83) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL6069262 0.78 GSK3B (0.71) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL4682932 0.77 GSK3B (0.67) GSK3BPRKCBPRKCAPRKCGKCNH2

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
EP-1362047-B1 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-05-17 EP disclosed
EP-1362047-A2 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-11-19 EP disclosed
WO-2002046183-A2 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 WO disclosed