SCHEMBL19365296

SCHEMBL19365296

COc1cncc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H]2CCN32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.42
▸ GSK3B P49841 3/20 0.42
▸ SYK P43405 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CTPS1 P17812 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
SCHEMBL19670317 1.00 DYRK1A (0.42) DYRK1AGSK3BSYKALDH1A1SMN1; SMN2
SCHEMBL19365399 0.89 PRMT5 (0.40) DYRK1AGSK3BALDH1A1SMN1; SMN2KDM4E
SCHEMBL19365398 0.89 PRMT5 (0.40) DYRK1AGSK3BALDH1A1SMN1; SMN2KDM4E
SCHEMBL19670325 0.87 GSK3B (0.39) DYRK1AGSK3BCYP3A4
SCHEMBL19365582 0.87 GSK3B (0.39) DYRK1AGSK3BCYP3A4
SCHEMBL19365402 0.86 PIK3C3 (0.42) DYRK1AGSK3BLMNANPC1RAB9A
SCHEMBL19365403 0.86 PIK3C3 (0.42) DYRK1AGSK3BLMNANPC1RAB9A
SCHEMBL19365792 0.86 MEN1 (0.38) DYRK1AGSK3BEGFRCYP11B1CYP11B2
SCHEMBL19365768 0.86 EGFR (0.45) DYRK1AGSK3BALDH1A1SMN1; SMN2EGFR
SCHEMBL19670463 0.86 EGFR (0.45) DYRK1AGSK3BALDH1A1SMN1; SMN2EGFR

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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