SCHEMBL19670208

SCHEMBL19670208

Cn1cc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)C2CCN32)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ DYRK1A Q13627 14/20 0.39
▸ GSK3B P49841 12/20 0.39
▸ WNT1 P04628 9/20 0.39
▸ CSF1R P07333 3/20 0.38
▸ MET P08581 2/20 0.38
▸ KDR P35968 1/20 0.38
▸ CLK2 P49760 2/20 0.38
▸ CLK3 P49761 2/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 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
SCHEMBL19365404 0.85 MEN1 (0.37) DYRK1AGSK3B
SCHEMBL19365408 0.85 MEN1 (0.37) DYRK1AGSK3B
SCHEMBL19670463 0.84 EGFR (0.45) DYRK1AGSK3BKDR
SCHEMBL19364814 0.84 GRM5 (0.38) DYRK1AGSK3B
SCHEMBL19365399 0.84 PRMT5 (0.40) DYRK1AGSK3B
SCHEMBL19670441 0.84 GRM5 (0.38) DYRK1AGSK3B
SCHEMBL17618591 0.84 CCNA2 (0.41) CCNA2CDK2DYRK1AGSK3BWNT1
SCHEMBL19365768 0.84 EGFR (0.45) DYRK1AGSK3BKDR
SCHEMBL19365398 0.84 PRMT5 (0.40) DYRK1AGSK3B
SCHEMBL19365482 0.84 MCL1 (0.45) CLK2

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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