SCHEMBL19670362

SCHEMBL19670362

C[C@@H]1CCN(C)c2ccc(-c3cccc(OC(F)(F)F)c3)nc2N1C(=O)Nc1ccc(F)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ SCN9A Q15858 2/20 0.38
▸ SLC5A1 P13866 6/20 0.38
▸ FYN P06241 1/20 0.38
▸ PIM1 P11309 7/20 0.38
▸ KCNH2 Q12809 4/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ PIM3 Q86V86 2/20 0.38
▸ PIM2 Q9P1W9 2/20 0.38
▸ GAK O14976 1/20 0.38
▸ STK10 O94804 1/20 0.38
▸ YES1 P07947 1/20 0.38
▸ RET P07949 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ PKN1 Q16512 1/20 0.38
▸ HASPIN Q8TF76 1/20 0.38
▸ SIK2 Q9H0K1 1/20 0.38
▸ SLK Q9H2G2 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
SCHEMBL19670150 0.89 IRAK4 (0.40) IRAK4SCN9ASLC5A1FYNPIM1
SCHEMBL19670246 0.89 SCN9A (0.39) SCN9AFYNHCRTR1
SCHEMBL19670234 0.86 FGFR4 (0.35) GAKPDGFRB
SCHEMBL19670168 0.86 IRAK4 (0.43) IRAK4SCN9ASLC5A1FYNPIM1
SCHEMBL19670373 0.85 KDR (0.41) IRAK4SCN9ASLC5A1FYN
SCHEMBL19365522 0.85 KDM4E (0.39) IRAK4SLC5A1FYNTYRO3
SCHEMBL19670365 0.85 VCP (0.37) HCRTR1
SCHEMBL19670420 0.85 HDAC2 (0.42) —
SCHEMBL19670236 0.84 DHODH (0.40) IRAK4SCN9ASLC5A1FYNTYRO3
SCHEMBL17618440 0.84 ABL1 (0.40) IRAK4SLC5A1FYNPIM1KCNH2

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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