SCHEMBL19365697

SCHEMBL19365697

CCN1CCCN(C(=O)Nc2cc(-c3cnco3)ccn2)c2nc(-c3ccnc(C)c3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.40
▸ WNT1 P04628 18/20 0.40
▸ GSK3B P49841 18/20 0.40
▸ CLK2 P49760 1/20 0.35
▸ CLK3 P49761 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
SCHEMBL19670124 0.87 WNT3A (0.40) —
SCHEMBL19670591 0.85 FGFR4 (0.42) —
SCHEMBL19670569 0.84 FAAH (0.36) —
SCHEMBL16776424 0.83 DYRK1A (0.40) DYRK1AWNT1GSK3B
SCHEMBL19670620 0.83 HTR2A (0.38) —
SCHEMBL19670435 0.82 WNT3A (0.36) —
SCHEMBL19670532 0.82 FAAH (0.41) DYRK1AGSK3B
SCHEMBL19670352 0.82 HTR2C (0.47) —
SCHEMBL19706092 0.81 CYP11B2 (0.37) DYRK1ACLK2CLK3
SCHEMBL19365610 0.81 BRAF (0.42) DYRK1AWNT1GSK3B

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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