SCHEMBL29814519

SCHEMBL29814519

Nc1cc(N2CCC(O)CC2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 3/20 0.54
▸ CDK2 P24941 2/20 0.54
▸ ABL1 P00519 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ LRRK2 Q5S007 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ SMARCA2 P51531 1/20 0.39
▸ SMARCA4 P51532 1/20 0.39
▸ PBRM1 Q86U86 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HRH4 Q9H3N8 3/20 0.38
▸ SMPD3 Q9NY59 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ MAP4K1 Q92918 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 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
SCHEMBL23089547 1.00 CDK1 (0.54) CDK1CDK2ABL1F10LRRK2
SCHEMBL21590373 0.85 HRH3 (0.53) CDK1CDK2F10HRH4HRH3
SCHEMBL9877120 0.83 ALDH1A1 (0.44) CDK1CDK2F10HTTHRH4
SCHEMBL23174122 0.81 DKK1 (0.45) CDK1CDK2F10HRH4NOS3
SCHEMBL1097561 0.80 CHKA (0.52) MAPTLMNAHTTHRH4KDM4E
SCHEMBL16212228 0.80 HRH4 (0.47) MAPTLMNAHTTHRH4KDM4E
SCHEMBL883820 0.80 HRH4 (0.54) HRH4
SCHEMBL6262576 0.79 HRH4 (0.54) MAPTLMNAHTTHRH4KDM4E
SCHEMBL5847761 0.79 HRH4 (0.54) MAPTLMNAHTTHRH4KDM4E
SCHEMBL20445986 0.78 MAP3K5 (0.45) F10HRH4ACVR1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119874700-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2025-04-25 — — CN disclosed
CN-114945366-B HPK1 antagonists and uses thereof 林伯士萨顿公司 2025-01-07 — — CN disclosed
CN-114945366-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2022-08-26 — — CN disclosed
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