SCHEMBL19669985

SCHEMBL19669985

CCN1CC[C@@H](C)N(C(=O)Nc2cnccn2)c2nc(-c3cccc(N4CCCC4)c3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 1/20 0.43
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ DHFR P00374 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ FAAH O00519 2/20 0.35
▸ CAMK2D Q13557 1/20 0.34
▸ PRKCI P41743 1/20 0.34
▸ TEK Q02763 1/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ PRMT8 Q9NR22 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34
▸ GSK3B P49841 3/20 0.34
▸ DYRK1A Q13627 3/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33

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
SCHEMBL19365269 0.90 KARS1 (0.45) KARS1ABL1BCRJAK2DHFR
SCHEMBL19670263 0.90 DHFR (0.37) KARS1ABL1BCRJAK2DHFR
SCHEMBL19670393 0.89 ABL1 (0.42) ABL1BCRJAK2CAMK2DTEK
SCHEMBL19670389 0.88 ROCK2 (0.35) KARS1ABL1BCRJAK2CAMK2D
SCHEMBL19365492 0.87 MTOR (0.36) KARS1SIRT2FAAH
SCHEMBL19670252 0.87 THRB (0.38) KARS1SIRT2
SCHEMBL19670432 0.86 TRPV3 (0.34) ABL1BCRJAK2TEKCARM1
SCHEMBL19670428 0.85 ABL1 (0.40) ABL1FAAHGSK3BDYRK1AIRAK4
SCHEMBL16776055 0.84 KARS1 (0.49) KARS1ABL1BCRJAK2DHFR
SCHEMBL19365562 0.84 MTOR (0.41) FAAHGSK3BDYRK1A

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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