SCHEMBL30729387

SCHEMBL30729387

CN(C)CC1CN(Nc2ccccc2)CCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.37
▸ PIM1 P11309 2/20 0.37
▸ PRKACA P17612 2/20 0.37
▸ CLK2 P49760 2/20 0.37
▸ GSK3A P49840 2/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ CDK7 P50613 2/20 0.37
▸ RPS6KA3 P51812 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ PRKCQ Q04759 2/20 0.37
▸ TAOK1 Q7L7X3 2/20 0.37
▸ CLK4 Q9HAZ1 2/20 0.37
▸ TBK1 Q9UHD2 2/20 0.37
▸ DYRK1B Q9Y463 2/20 0.37
▸ PRKCG P05129 2/20 0.37
▸ PRKCB P05771 2/20 0.37
▸ PRKCA P17252 2/20 0.37
▸ PRKCH P24723 2/20 0.37
▸ PRKCE Q02156 2/20 0.37
▸ PRKCD Q05655 2/20 0.37

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
SCHEMBL29947345 0.78 DRD4 (0.35) CNR2HRH3DRD4
SCHEMBL27948460 0.76 HTR1A (0.39) PIM1GSK3AGSK3BPRKCQAAK1
SCHEMBL18436051 0.75 LMNA (0.43) CHEK1PIM1PRKACACLK2GSK3A
SCHEMBL5948340 0.74 CNR2 (0.35) CNR2HRH3DRD4SIGMAR1
SCHEMBL7924048 0.73 DRD4 (0.66) DRD4
SCHEMBL2355308 0.73 MAPT (0.36) CNR2SMN1; SMN2
SCHEMBL21848255 0.73 CNR2 (0.36) CNR2DRD4SMN1; SMN2
SCHEMBL27932933 0.73 CNR2 (0.39) CNR2DRD4SMN1; SMN2
SCHEMBL27890396 0.73 CNR2 (0.36) CNR2DRD4SMN1; SMN2
Hydrochloric Acid SCHEMBL10513895 0.72 DRD4 (0.64) DRD4

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-117377673-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2024-01-09 — — CN disclosed
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