SCHEMBL28513402

SCHEMBL28513402

Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)c1C1=CCN(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
QDPR P09417 2/20 0.37
SLC6A4 P31645 1/20 0.35

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
SCHEMBL17897342 0.79 QDPR (0.54) QDPR
SCHEMBL18620920 0.76 QDPR (0.47) QDPR
SCHEMBL4154520 0.75 QDPR (0.40) QDPR
SCHEMBL24269979 0.75 MAPK1 (0.53)
SCHEMBL24722865 0.75 P2RX7 (0.32)
SCHEMBL28503673 0.75 HTR6 (0.56) HTR6QDPRSLC6A4
SCHEMBL24802975 0.74 SLC6A4 (0.41) QDPRSLC6A4
SCHEMBL24723471 0.74 P2RX7 (0.33)
SCHEMBL15581068 0.74 LPL (0.44)
SCHEMBL31536273 0.73 QDPR (0.45) HTR6QDPRSLC6A4

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
CN-116848113-A Bicyclic compounds as HPK1 inhibitors and application thereof 南京再明医药有限公司 2023-10-03 CN disclosed
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed