SCHEMBL19365403

SCHEMBL19365403

CS(=O)(=O)c1cncc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)C2CCN32)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 12/20 0.42
▸ ATR Q13535 1/20 0.38
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ PIM1 P11309 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
SCHEMBL19365402 1.00 PIK3C3 (0.42) PIK3C3ATRNPC1RAB9ALMNA
SCHEMBL19365766 0.89 ATR (0.47) ATRNPC1RAB9ALMNATSHR
SCHEMBL19365765 0.89 ATR (0.47) ATRNPC1RAB9ALMNATSHR
SCHEMBL19365399 0.88 PRMT5 (0.40) NPC1RAB9AGSK3BDYRK1A
SCHEMBL19365398 0.88 PRMT5 (0.40) NPC1RAB9AGSK3BDYRK1A
SCHEMBL19670325 0.87 GSK3B (0.39) GSK3BDYRK1A
SCHEMBL19365582 0.87 GSK3B (0.39) GSK3BDYRK1A
SCHEMBL19670317 0.86 DYRK1A (0.42) NPC1RAB9ALMNAGSK3BDYRK1A
SCHEMBL19365296 0.86 DYRK1A (0.42) NPC1RAB9ALMNAGSK3BDYRK1A
SCHEMBL17624238 0.86 PIK3C3 (0.41) PIK3C3ATRNPC1RAB9ALMNA

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