SCHEMBL14795486

SCHEMBL14795486

O=c1[nH]c2cc(F)c(F)cc2c(NC2CCCNC2)c1-c1nc2ccccc2[nH]1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.76
AURKA O14965 5/20 0.71
PRKD3 O94806 5/20 0.71
PRKCG P05129 5/20 0.71
PRKCB P05771 5/20 0.71
PRKCA P17252 5/20 0.71
CCNA2 P20248 5/20 0.71
PRKCH P24723 5/20 0.71
CDK2 P24941 5/20 0.71
PRKCI P41743 5/20 0.71
PRKCE Q02156 5/20 0.71
PRKCQ Q04759 5/20 0.71
PRKCZ Q05513 5/20 0.71
PRKCD Q05655 5/20 0.71
PRKD1 Q15139 5/20 0.71
JAK1 P23458 1/20 0.60

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
SCHEMBL3378308 0.94 CHEK1 (0.75) CHEK1AURKAPRKD3PRKCGPRKCB
SCHEMBL14796277 0.90 CHEK1 (0.81) CHEK1AURKAPRKD3PRKCGPRKCB
SCHEMBL3379867 0.89 CHEK1 (0.75) CHEK1AURKAPRKD3PRKCGPRKCB
SCHEMBL6388857 0.89 CHEK1 (0.81) CHEK1AURKAPRKD3PRKCGPRKCB
SCHEMBL14796247 0.87 CHEK1 (0.75) CHEK1AURKAPRKD3PRKCGPRKCB
SCHEMBL3378281 0.86 CHEK1 (1.00) CHEK1AURKAPRKD3PRKCGPRKCB
SCHEMBL6390590 0.86 CHEK1 (1.00) CHEK1AURKAPRKD3PRKCGPRKCB
SCHEMBL6389466 0.86 CHEK1 (0.81) CHEK1AURKAPRKD3PRKCGPRKCB
SCHEMBL14795591 0.86 CHEK1 (0.70) CHEK1AURKAPRKD3PRKCGPRKCB
SCHEMBL14796228 0.83 CHEK1 (0.75) CHEK1AURKAPRKD3PRKCGPRKCB

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-2762475-A1 Pharmaceutically acceptable salts of quinolinone compounds and their medical use Novartis Vaccines and Diagnostics, Inc. (US) 2014-08-06 EP disclosed
EP-2573079-A2 Benzimidazole quinolinones and uses thereof Novartis Vaccines and Diagnostics, Inc. (US) 2013-03-27 EP disclosed