SCHEMBL28502196

SCHEMBL28502196

CC(CN(C)C(=O)c1ccc(Br)cc1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ APLNR P35414 2/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HDAC4 P56524 3/20 0.34
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ MLYCD O95822 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL22859165 1.00 POLB (0.37) POLBAPLNRCDK4CCND1ALDH1A1
SCHEMBL22858979 1.00 POLB (0.37) POLBAPLNRCDK4CCND1ALDH1A1
SCHEMBL22858696 0.85 APLNR (0.38) POLBAPLNRALDH1A1NPSR1L3MBTL1
SCHEMBL22858704 0.85 APLNR (0.38) POLBAPLNRALDH1A1NPSR1L3MBTL1
SCHEMBL29216552 0.80 AAK1 (0.38) —
SCHEMBL30215948 0.80 AAK1 (0.38) —
SCHEMBL24955708 0.78 DYRK1A (0.43) —
SCHEMBL29216538 0.78 DYRK1A (0.43) —
SCHEMBL28504577 0.76 POLB (0.38) POLBCDK4CCND1ALDH1A1KDM4E
SCHEMBL24954316 0.76 MAP4K1 (0.43) HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118043324-A Pyrrolo [2,3-b ] pyrazine-based bifunctional compounds as HPK1 degradants and uses thereof 百济神州有限公司 2024-05-14 — — CN disclosed
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-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
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
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