SCHEMBL15775456

SCHEMBL15775456

N#Cc1cccnc1C#Cc1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADK P55263 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LRRK2 Q5S007 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
PDK1 Q15118 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL15775225 0.85 APP (0.43) APPMAPTHPGDALDH1A1NPC1
SCHEMBL30521933 0.85 APP (0.43) APPMAPTHPGDALDH1A1NPC1
SCHEMBL15776051 0.84 ALDH1A1 (0.42) HPGDALDH1A1NPC1POLBRAB9A
SCHEMBL22271110 0.84 GRM5 (0.37) LRRK2KDM4E
SCHEMBL15775600 0.84 NPC1 (0.47) NPC1RAB9AADK
SCHEMBL15775234 0.80 CYP3A4 (0.44) CYP3A4
SCHEMBL15775434 0.80 ALDH1A1 (0.50) APPMAPTHPGDALDH1A1NPC1
SCHEMBL15775708 0.76 MAOB (0.57) MAPTHPGDALDH1A1NPC1POLB
SCHEMBL18611 0.74 LRRK2 (0.46) MAPTHPGDALDH1A1NPC1POLB
SCHEMBL29533314 0.74 LRRK2 (0.46) MAPTHPGDALDH1A1NPC1POLB

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
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed