SCHEMBL19670257

SCHEMBL19670257

CCN1CC[C@@H](C)N(C(=O)Nc2ccnc(OC)n2)c2nc(-c3cccc(OC(F)(F)F)c3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.38
▸ SLC5A1 P13866 9/20 0.37
▸ GSK3B P49841 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35

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
SCHEMBL19670385 0.89 MPL (0.44) SLC5A1GSK3BMAPK14IRAK4PIM1
SCHEMBL19670164 0.89 GSK3B (0.40) SLC5A1GSK3BMAPK14IRAK4PIM1
SCHEMBL19670428 0.89 ABL1 (0.40) HPGDSSLC5A1GSK3BMAPK14DYRK1A
SCHEMBL19670258 0.86 KCNH2 (0.37) DYRK1AHPGDMAPK1HSD17B10
SCHEMBL19670389 0.86 ROCK2 (0.35) MAPK14MAPT
SCHEMBL17618476 0.84 ABL1 (0.39) HPGDSSLC5A1GSK3BMAPK14DYRK1A
SCHEMBL19670589 0.84 HTR2C (0.42) —
SCHEMBL19670590 0.82 IRAK4 (0.41) SLC5A1IRAK4PIM1
SCHEMBL19670238 0.82 TRPA1 (0.38) KDM4EHPGDMAPTSMN1; SMN2NPSR1
SCHEMBL19670386 0.80 CACNA1H (0.37) IRAK4

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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