SCHEMBL6344642

SCHEMBL6344642

O=C1C=C(c2cn(-c3cncc4ccccc34)c3ccccc23)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 4/20 0.49
PRKCA P17252 4/20 0.49
GSK3B P49841 3/20 0.49
PRKCG P05129 3/20 0.49
KCNH2 Q12809 1/20 0.49
PRKCD Q05655 2/20 0.37
CYP11B1 P15538 6/20 0.36
CYP11B2 P19099 5/20 0.36
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
PRKD3 O94806 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCI P41743 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCZ Q05513 1/20 0.34
PRKD1 Q15139 1/20 0.34

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
SCHEMBL1127976 0.79 GSK3B (0.56) PRKCBPRKCAGSK3BPRKCGKCNH2
SCHEMBL3600677 0.77 KDM4E (0.46) PRKCBPRKCAGSK3BPRKCGPRKCD
SCHEMBL4848432 0.75 CDK2 (0.39) PRKCBPRKCAGSK3BPRKCG
SCHEMBL6344338 0.74 GSK3B (0.41) PRKCBPRKCAGSK3BPRKCGKCNH2
SCHEMBL29504831 0.72 CCNE2 (0.63) PRKCAGSK3B
SCHEMBL5879232 0.72 CCNE2 (0.63) PRKCAGSK3B
Hydrochloric Acid SCHEMBL29664072 0.71 CCNE2 (0.61) PRKCAGSK3B
SCHEMBL3774109 0.70 GSK3B (0.66) PRKCBPRKCAGSK3BPRKCGKCNH2
SCHEMBL4847504 0.70 PRKCG (0.41) PRKCBPRKCAGSK3BPRKCGKCNH2
SCHEMBL2954257 0.69 GSK3B (0.43) PRKCBPRKCAGSK3BPRKCGPRKCD

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
US-6849643-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-02-01 US disclosed