SCHEMBL28513508

SCHEMBL28513508

Cc1cc(-c2cc(Br)c[nH]2)cc(C)c1N1CCN(C)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.33
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ACHE P22303 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
TNKS O95271 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
SCHEMBL28906234 0.82 HRH4 (0.32) HRH4MAPTHTTALDH1A1POLB
SCHEMBL28499941 0.82 MAP4K1 (0.40) HRH4MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL28499871 0.78 MELK (0.49) HRH4MAPTALDH1A1
SCHEMBL24722735 0.77 MAPT (0.39) HRH4MAPTHTTALDH1A1POLB
SCHEMBL28511310 0.70 DRD2 (0.47) MAPTPOLBACHEHRH3
SCHEMBL28506939 0.70 MAP4K1 (0.47)
SCHEMBL24722936 0.70 HRH4 (0.34) HRH4ACHE
SCHEMBL31536249 0.70 MAP4K1 (0.47)
SCHEMBL20180504 0.69 NPSR1 (0.53) HRH4MAPTHTTALDH1A1POLB
SCHEMBL28509730 0.69 KDM4E (0.39) HRH4MAPTPOLB

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
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