SCHEMBL8657603

SCHEMBL8657603

Cn1cc(C2=CC(=O)N(c3c4n(c5ccccc35)CCC4)C2=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.43
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
CCNE2 O96020 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
PRKCA P17252 4/20 0.38
PRKD3 O94806 3/20 0.38
PRKCG P05129 3/20 0.38
PRKCB P05771 3/20 0.38
PRKCH P24723 3/20 0.38
PRKCE Q02156 3/20 0.38
PRKCQ Q04759 3/20 0.38
PRKCD Q05655 3/20 0.38
PRKD1 Q15139 3/20 0.38
GSK3B P49841 2/20 0.38
PHKG2 P15735 1/20 0.38
PRKCI P41743 1/20 0.38

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
SCHEMBL8636458 0.97 PTPRC (0.42) PTPRCCCNT1CDK9CCNE2CDK4
SCHEMBL8657563 0.96 PTPRC (0.41) PTPRCCCNT1CDK9CCNE2CDK4
Hydrochloric Acid SCHEMBL8653000 0.84 PTPRC (0.40) PTPRCCCNT1CDK9CCNE2CDK4
Hydrochloric Acid SCHEMBL8654746 0.83 PRKD3 (0.44) PTPRCPRKCAPRKD3PRKCGPRKCB
SCHEMBL8656527 0.83 PTPRC (0.39) PTPRCCCNT1CDK9CCNE2CDK4
Hydrochloric Acid SCHEMBL8655119 0.83 PRKD3 (0.41) PTPRCCCNE2CDK4CCND1CCNE1
SCHEMBL8657717 0.81 PRKCE (0.44) PTPRCPRKCAPRKD3PRKCGPRKCB
SCHEMBL8659809 0.81 PRKD3 (0.40) PTPRCCCNT1CDK9PRKCAPRKD3
SCHEMBL8655464 0.81 PRKCE (0.59) PRKCAPRKD3PRKCGPRKCBPRKCH
Acetic Acid SCHEMBL8656361 0.80 PRKCE (0.50) PRKCAPRKD3PRKCGPRKCBPRKCH

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-5721245-A ANTIINFLAMMATORY AGENTS, RESPIRATORY SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1998-02-24 US disclosed