SCHEMBL5757323

SCHEMBL5757323

O=C1NC(=O)C(c2nn(CCOCCO)c3ccccc23)=C1c1cn(-c2cccnc2)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.70
PRKCB P05771 13/20 0.70
PRKCA P17252 13/20 0.70
PRKCG P05129 12/20 0.70
KCNH2 Q12809 7/20 0.70
PRKCD Q05655 6/20 0.70
PRKCZ Q05513 3/20 0.70
KISS1R Q969F8 1/20 0.49
CCNB2 O95067 4/20 0.48
CDK1 P06493 4/20 0.48
CCNB1 P14635 4/20 0.48
CCNB3 Q8WWL7 4/20 0.48
IDH1 O75874 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
SCHEMBL5756894 0.91 GSK3B (0.76) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL3779590 0.90 GSK3B (0.79) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL6984319 0.89 GSK3B (0.78) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL3780405 0.85 GSK3B (0.79) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL13013365 0.85 GSK3B (0.73) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL4337272 0.85 GSK3B (0.72) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL4337612 0.84 GSK3B (0.74) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5757893 0.84 GSK3B (0.74) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL3780370 0.84 GSK3B (0.79) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL13013363 0.84 GSK3B (0.74) 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 1 patent. 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