SCHEMBL17632020

SCHEMBL17632020

COc1ccc2nc(N(C#N)C(=O)C3CCNC3)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.46
▸ LMNA P02545 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ITK Q08881 3/20 0.43
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.41
▸ NPC1 O15118 6/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ HTT P42858 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ WNT3A P56704 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KMT2A Q03164 2/20 0.39

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
SCHEMBL17631550 0.93 ABL1 (0.41) MAPTLMNATP53ITKMAOA
SCHEMBL17632490 0.88 MAPT (0.43) MAPTLMNATP53NPC1RAB9A
SCHEMBL17632611 0.85 RAB9A (0.37) MAPTLMNANPC1RAB9AHTT
SCHEMBL17631984 0.84 DYRK1A (0.33) MAPTTP53ITKNPC1RAB9A
SCHEMBL17632621 0.83 ALDH1A1 (0.47) MAPTLMNATP53MAOBUSP30
SCHEMBL17632229 0.82 CYP2D6 (0.42) USP30DYRK1A
SCHEMBL17632007 0.82 LIPG (0.41) LMNASMN1; SMN2ALDH1A1KDM4ENFKB1
SCHEMBL17631942 0.82 MAP4K1 (0.34) MAPTITK
SCHEMBL17632035 0.81 ABL1 (0.45) —
SCHEMBL17632567 0.79 BRD4 (0.47) LMNAUSP30CYP1A2CYP2C19ALDH1A1

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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