SCHEMBL19670428

SCHEMBL19670428

CCN1CC[C@@H](C)N(C(=O)Nc2cnccn2)c2nc(-c3cccc(OC(F)(F)F)c3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.40
▸ FAAH O00519 1/20 0.39
▸ PIM1 P11309 4/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ HPGDS O60760 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ PIM3 Q86V86 2/20 0.37
▸ PIM2 Q9P1W9 2/20 0.37
▸ GAK O14976 1/20 0.37
▸ STK10 O94804 1/20 0.37
▸ YES1 P07947 1/20 0.37
▸ RET P07949 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37
▸ PKN1 Q16512 1/20 0.37
▸ HASPIN Q8TF76 1/20 0.37

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 0.90 MPL (0.44) FAAHPIM1GSK3BMAPK14FYN
SCHEMBL19670164 0.90 GSK3B (0.40) PIM1GSK3BMAPK14IRAK4SLC5A1
SCHEMBL19670589 0.89 HTR2C (0.42) ABL1FAAHFYNHTR2C
SCHEMBL19670257 0.89 HPGDS (0.38) PIM1GSK3BMAPK14HPGDSDYRK1A
SCHEMBL19670590 0.85 IRAK4 (0.41) ABL1PIM1FYNKCNH2PIM2
SCHEMBL19670252 0.85 THRB (0.38) —
SCHEMBL19669985 0.85 KARS1 (0.43) ABL1FAAHGSK3BFLT3DYRK1A
SCHEMBL19365492 0.85 MTOR (0.36) FAAHKCNH2
SCHEMBL19365562 0.83 MTOR (0.41) FAAHGSK3BDYRK1A
SCHEMBL19670238 0.83 TRPA1 (0.38) ABL1PIM1FYNFLT3PIM2

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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