SCHEMBL5754534

SCHEMBL5754534

O=CCCn1nc(C2=C(c3cn(-c4cnc5ccccc5c4)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.76
PRKCB P05771 14/20 0.76
PRKCA P17252 14/20 0.76
PRKCG P05129 12/20 0.76
KCNH2 Q12809 7/20 0.76
PRKCD Q05655 7/20 0.76
PRKCZ Q05513 3/20 0.76
KISS1R Q969F8 1/20 0.48
CAMK2D Q13557 1/20 0.42
PRKCH P24723 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40

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
SCHEMBL3774167 0.88 GSK3B (0.81) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5757856 0.86 GSK3B (1.00) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5760645 0.85 GSK3B (0.71) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5757333 0.85 GSK3B (0.85) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5756379 0.84 GSK3B (0.81) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL13013363 0.84 GSK3B (0.74) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5754543 0.82 PRKCB (0.65) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL6069263 0.78 GSK3B (0.61) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5755363 0.77 GSK3B (0.77) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5803991 0.77 GSK3B (0.83) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1230434-C Indazolyl-substituted pyrroline compounds as kinase inhibitor ORTHO MCNEL PHARMACEUTICAL INC (US) 2005-12-07 CN claimed
EP-1362047-B1 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-05-17 EP disclosed