SCHEMBL19670328

SCHEMBL19670328

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4cnco4)ccn2)[C@H](C)CCN3C)ccn1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 18/20 0.44
▸ GSK3B P49841 17/20 0.44
▸ WNT1 P04628 16/20 0.44
▸ MTOR P42345 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36

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
SCHEMBL19670540 0.90 DYRK1A (0.36) DYRK1AGSK3BWNT1MTORADORA2A
SCHEMBL19670492 0.89 DYRK1A (0.42) DYRK1AGSK3BWNT1
SCHEMBL19670431 0.88 WNT1 (0.40) DYRK1AGSK3BWNT1MTOR
SCHEMBL19865030 0.88 DYRK1A (0.40) DYRK1AGSK3BWNT1
SCHEMBL19365270 0.87 WNT3A (0.40) DYRK1AGSK3BMTOR
SCHEMBL19365276 0.85 WNT3A (0.41) DYRK1AGSK3BMTOR
SCHEMBL17618869 0.85 DYRK1A (0.42) DYRK1AGSK3BWNT1
SCHEMBL17767959 0.85 DYRK1A (0.42) DYRK1AGSK3BWNT1
SCHEMBL19365654 0.83 HCRTR1 (0.44) —
SCHEMBL19670515 0.82 WNT3A (0.35) GSK3BMTOR

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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