SCHEMBL21590152

SCHEMBL21590152

Nc1ccc(Br)cc1N1CC[C@H](O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 4/20 0.40
SMARCA2 P51531 2/20 0.40
SMARCA4 P51532 2/20 0.40
AR P10275 1/20 0.37
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
LGMN Q99538 3/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
S100B P04271 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL21590278 1.00 PBRM1 (0.40) PBRM1SMARCA2SMARCA4ARCDK1
SCHEMBL21590360 1.00 PBRM1 (0.40) PBRM1SMARCA2SMARCA4ARCDK1
SCHEMBL13957107 0.88 KDM4E (0.40) PBRM1SMARCA2SMARCA4ARCDK1
SCHEMBL27645356 0.81 LGMN (0.41) PBRM1SMARCA2SMARCA4ARCDK1
SCHEMBL27009114 0.78 F10 (0.39) ARGAAMAPTALDH1A1LMNA
SCHEMBL27009296 0.78 F10 (0.39) ARGAAMAPTALDH1A1LMNA
SCHEMBL28402999 0.78 AR (0.56) ARMEN1KMT2AALDH1A1ALOX15
SCHEMBL5091948 0.78 GAA (0.60) LGMNGAAMEN1KMT2AMAPT
SCHEMBL3436023 0.77 GAA (0.59) PBRM1SMARCA2SMARCA4ARCDK1
SCHEMBL3436206 0.77 GAA (0.59) PBRM1SMARCA2SMARCA4ARCDK1

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-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
WO-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed