SCHEMBL25565756

SCHEMBL25565756

CCOc1cc(N)ccc1C1=CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
QDPR P09417 3/20 0.44
SLC6A4 P31645 2/20 0.40
NOS1 P29475 2/20 0.40

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
SCHEMBL25565752 0.84 MAPT (0.42) KDM4EGAAMAPT
SCHEMBL29974417 0.80 QDPR (0.46) KDM4EQDPRSLC6A4
SCHEMBL30962657 0.79 SLC6A4 (0.57) MAPTQDPRSLC6A4
SCHEMBL21350146 0.79 SLC6A4 (0.48) KDM4EGAAMAPTQDPRSLC6A4
SCHEMBL30594672 0.79 SLC6A4 (0.48) KDM4EGAAMAPTQDPRSLC6A4
SCHEMBL7033282 0.78 QDPR (0.56) KDM4EGAAMAPTQDPRSLC6A4
SCHEMBL11986944 0.78 SLC6A4 (0.42) KDM4EQDPRSLC6A4NOS1
Hydrochloric Acid SCHEMBL7030177 0.78 QDPR (0.56) KDM4EGAAMAPTQDPRSLC6A4
SCHEMBL5010128 0.77 SLC6A4 (0.48) KDM4EQDPRSLC6A4
SCHEMBL30962901 0.77 KDM4E (0.49) KDM4EMAPTQDPRSLC6A4

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-2023094310-A1 PYRAZOLOTRIAZINE DERIVATIVES USEFUL AS CDK9 INHIBITORS ORIGENIS GMBH (DE) 2023-06-01 WO disclosed