SCHEMBL23732014

SCHEMBL23732014

Cc1nc2c([nH]1)CC(N)CC2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.36
HTR1B P28222 2/20 0.33
HTR1D P28221 1/20 0.33
HAVCR2 Q8TDQ0 1/20 0.33
AKT2 P31751 1/20 0.32
PARP1 P09874 1/20 0.30
PARP15 Q460N3 1/20 0.30
PARP3 Q9Y6F1 1/20 0.30

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
SCHEMBL15984749 0.79 PDK1 (0.39) HAVCR2PARP1PARP15PARP3
SCHEMBL21888964 0.79 PDK1 (0.39) HAVCR2PARP1PARP15PARP3
SCHEMBL23732125 0.73 HAVCR2 (0.36) HAVCR2
SCHEMBL5851446 0.68 PDK1 (0.35) HAVCR2PARP1PARP15PARP3
SCHEMBL2756447 0.67
SCHEMBL24965674 0.67 MAPT (0.43) NR2E1HTR1BHTR1D
SCHEMBL21889219 0.66 ENPP2 (0.31)
SCHEMBL17128162 0.66 HAVCR2 (0.47) HAVCR2PARP1PARP15PARP3
SCHEMBL10281378 0.66 HAVCR2 (0.47) HAVCR2PARP1PARP15PARP3
SCHEMBL21889260 0.65 ENPP2 (0.30)

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-2021155264-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed