SCHEMBL17530809

SCHEMBL17530809

Cc1cccc2cc(N(C)C(=O)O)c(N3CCNC(=O)C3)nc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.40
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.36
CLK1 P49759 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
PIN1 Q13526 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
SCHEMBL17530777 0.89 PRKCH (0.35) KDM4EALDH1A1SMN1; SMN2KMT2APRKCH
SCHEMBL715531 0.79 PIK3CD (0.44) PIK3CD
SCHEMBL713514 0.79 PIK3CD (0.48) PIK3CDTSHRALOX15CASP1CASP7
SCHEMBL17530807 0.79 PIK3CD (0.58) PIK3CD
SCHEMBL716764 0.77 PIK3CD (0.48) PIK3CDTSHRALOX15CASP1CASP7
SCHEMBL861347 0.76 PIK3CD (0.41) PIK3CDTSHRALOX15CASP1CASP7
SCHEMBL716475 0.76 PIK3CD (0.40) PIK3CDTSHRALOX15CASP1CASP7
SCHEMBL715530 0.76 PIK3CD (0.39) PIK3CDTSHRALOX15CASP1CASP7
SCHEMBL713672 0.70 KDR (0.46) L3MBTL1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL716993 0.69 PIK3CD (0.50) PIK3CD

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
EP-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP disclosed