SCHEMBL7090205

SCHEMBL7090205

C=Cn1cc(C2=C(c3nn(CC(O)CN(C)C)c4ccc(Cl)cc34)C(=O)[N+]([O-])=C2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.42
PRKCG P05129 2/20 0.42
PRKCB P05771 2/20 0.42
PRKCA P17252 2/20 0.42
MAPT P10636 1/20 0.33
DNM1 Q05193 2/20 0.32
MYLK Q15746 2/20 0.32
KDM4E B2RXH2 1/20 0.31
CHEK1 O14757 1/20 0.31
CDK1 P06493 1/20 0.31
WEE1 P30291 1/20 0.31
DHFR P00374 1/20 0.30

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
SCHEMBL3775971 0.84 GSK3B (0.61) GSK3BPRKCGPRKCBPRKCAMAPT
SCHEMBL27502730 0.76 PRKCG (0.39) GSK3BPRKCGPRKCBPRKCAMAPT
SCHEMBL5756702 0.76 GSK3B (0.71) GSK3BPRKCGPRKCBPRKCAMYLK
SCHEMBL3777462 0.73 GSK3B (0.53) GSK3BPRKCGPRKCBPRKCAMAPT
SCHEMBL5758532 0.70 PRKCA (0.84) GSK3BPRKCGPRKCBPRKCAMAPT
SCHEMBL3771589 0.67 PRKCA (0.84) GSK3BPRKCGPRKCBPRKCA
SCHEMBL27502732 0.66 MYLK (0.37) GSK3BPRKCAMAPTDNM1MYLK
SCHEMBL5755763 0.66 GSK3B (0.64) GSK3BPRKCGPRKCBPRKCA
SCHEMBL5757611 0.64 GSK3B (0.59) GSK3BPRKCGPRKCBPRKCA
SCHEMBL13013286 0.62 AKR1B1 (0.40) MAPTDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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