SCHEMBL17631758

SCHEMBL17631758

CNC(=O)c1cc(-c2cnc(N(C#N)C(=O)[C@H]3CCNC3)s2)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ USP30 Q70CQ3 4/20 0.36
▸ MTOR P42345 5/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ CHEK1 O14757 5/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ UCHL1 P09936 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33

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
SCHEMBL17632087 0.91 WNT1 (0.36) WNT1GSK3BDYRK1AUSP30MTOR
SCHEMBL17632053 0.89 CHEK1 (0.40) USP30CHEK1
SCHEMBL17631623 0.88 CHEK1 (0.41) WNT1GSK3BDYRK1AUSP30CHEK1
SCHEMBL17631988 0.86 OTUD7B (0.42) WNT1GSK3BDYRK1AUSP30PIK3CA
SCHEMBL17632491 0.83 CHEK1 (0.42) WNT1GSK3BDYRK1AUSP30CHEK1
SCHEMBL17631806 0.82 KDM1A (0.40) WNT1GSK3BDYRK1AUSP30CHEK1
SCHEMBL17632487 0.81 USP30 (0.41) WNT1GSK3BDYRK1AUSP30CHEK1
SCHEMBL17632150 0.81 USP30 (0.43) USP30CHEK1RAB9AUCHL1SLC6A2
SCHEMBL17631680 0.81 CHEK1 (0.40) WNT1GSK3BDYRK1AUSP30CHEK1
SCHEMBL17632782 0.81 CHEK1 (0.41) USP30CHEK1KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP claimed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO claimed
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP disclosed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO disclosed
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