SCHEMBL22858730

SCHEMBL22858730

CN(CC1CCOC1)C(=O)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.50
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
LSS P48449 2/20 0.38
OPRD1 P41143 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
NAMPT P43490 2/20 0.37
LIMK2 P53671 1/20 0.36
PARP1 P09874 1/20 0.36
CYP11B2 P19099 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 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
SCHEMBL22858726 1.00 NSD2 (0.50) NSD2ALDH1A1KMT2AMEN1NPC1
SCHEMBL22922380 1.00 NSD2 (0.50) NSD2ALDH1A1KMT2AMEN1NPC1
SCHEMBL29845665 0.86 NSD2 (0.49) NSD2ALDH1A1KMT2AMEN1NAMPT
SCHEMBL30644811 0.86 NSD2 (0.49) NSD2ALDH1A1KMT2AMEN1NAMPT
SCHEMBL22858905 0.84 NPC1 (0.41) NSD2KMT2ANPC1GAARAB9A
SCHEMBL22858909 0.84 NPC1 (0.41) NSD2KMT2ANPC1GAARAB9A
SCHEMBL22858814 0.79 NSD2 (0.44) NSD2ALDH1A1KMT2ANPC1GAA
SCHEMBL22922417 0.79 NSD2 (0.44) NSD2ALDH1A1KMT2ANPC1GAA
SCHEMBL22858813 0.79 NSD2 (0.44) NSD2ALDH1A1KMT2ANPC1GAA
SCHEMBL22858820 0.78 NSD2 (0.40) NSD2KMT2AMEN1NPC1GAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112239473-B Process for preparing tricyclic compounds as HPK1 inhibitors 百济神州(北京)生物科技有限公司 2023-12-08 CN disclosed
CN-115073474-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-09-20 CN disclosed
CN-115028639-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-09-09 CN disclosed
CN-114127067-A Tricyclic compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-03-01 CN disclosed
CN-114096536-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-02-25 CN disclosed
CN-113166139-A Pyrrolo [2,3-b ] pyridines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-07-23 CN disclosed
WO-2021013083-A1 TRICYCLIC COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-28 WO disclosed
CN-112239473-A Tricyclic compounds as HPK1 inhibitors 百济神州(北京)生物科技有限公司 2021-01-19 CN disclosed
WO-2021000925-A1 PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-07 WO disclosed