SCHEMBL17632490

SCHEMBL17632490

Cc1ccc2nc(N(C#N)C(=O)C3CCNC3)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.43
▸ TP53 P04637 2/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MITF O75030 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2D6 P10635 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
SCHEMBL17632611 0.88 RAB9A (0.37) MAPTNPC1RAB9ADYRK1AKMT2A
SCHEMBL17632020 0.88 MAPT (0.46) MAPTTP53NPC1RAB9ADYRK1A
SCHEMBL17631984 0.88 DYRK1A (0.33) MAPTTP53NPC1RAB9ADYRK1A
SCHEMBL17632621 0.87 ALDH1A1 (0.47) MAPTTP53NPC1RAB9AKMT2A
SCHEMBL17632035 0.86 ABL1 (0.45) —
SCHEMBL17632229 0.86 CYP2D6 (0.42) DYRK1ACYP2D6
SCHEMBL17632007 0.86 LIPG (0.41) ALDH1A1LMNAKDM4E
SCHEMBL17631550 0.85 ABL1 (0.41) MAPTTP53KMT2AMEN1LMNA
SCHEMBL17632567 0.84 BRD4 (0.47) ALDH1A1LMNA
SCHEMBL17631887 0.84 USP30 (0.44) MAPT

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
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
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