SCHEMBL19365800

SCHEMBL19365800

CN1CCCN(C(=O)Nc2cnccn2)c2nc(-c3ccnc(N4CCC(F)(F)C4)c3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 12/20 0.37
▸ DYRK1A Q13627 4/20 0.37
▸ GSK3B P49841 3/20 0.37
▸ WNT1 P04628 2/20 0.37
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ CSF1R P07333 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
SCHEMBL19365587 0.90 FGFR4 (0.39) DYRK1AGSK3BWNT1CACNA1HCSF1R
SCHEMBL19670360 0.86 KARS1 (0.40) KARS1DYRK1AGSK3BWNT1MAPT
SCHEMBL19365599 0.86 KARS1 (0.40) KARS1DYRK1AGSK3B
SCHEMBL19365732 0.86 KARS1 (0.40) KARS1DYRK1AGSK3B
SCHEMBL17618647 0.80 KARS1 (0.40) KARS1GSK3BMAPT
SCHEMBL16776160 0.80 KARS1 (0.40) KARS1DYRK1AGSK3BWNT1
SCHEMBL19670229 0.79 POLB (0.42) GSK3BMAPT
SCHEMBL20632331 0.78 DYRK1A (0.40) DYRK1AGSK3B
SCHEMBL20631979 0.77 CYP11B2 (0.41) DYRK1AGSK3B
SCHEMBL19670226 0.77 CNR2 (0.38) KARS1DYRK1AGSK3BWNT1

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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