SCHEMBL28891629

SCHEMBL28891629

CN1CCN(c2ccc(Nc3cc4ccc(C#N)cc4nc3C(N)=O)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.47
▸ TNIK Q9UKE5 3/20 0.44
▸ AURKA O14965 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CCND3 P30281 1/20 0.43
▸ CDK6 Q00534 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ EML4 Q9HC35 4/20 0.43
▸ ALK Q9UM73 4/20 0.43
▸ FLT3 P36888 4/20 0.43
▸ RET P07949 3/20 0.43
▸ ROS1 P08922 3/20 0.43
▸ NSD2 O96028 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ TTK P33981 1/20 0.42
▸ PIM2 Q9P1W9 1/20 0.42

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
SCHEMBL28891739 0.87 SLC2A1 (0.39) SLC2A1AURKACDK2CCNA2ADRA2A
SCHEMBL28891651 0.81 SLC2A1 (0.54) SLC2A1TNIKAURKACDK2CDK4
SCHEMBL11029146 0.79 SLC2A1 (0.49) SLC2A1TNIKAURKACDK2CDK4
Trifluoroacetic Acid SCHEMBL29876164 0.79 ADRA2A (0.55) SLC2A1TNIKAURKACDK2CDK4
Trifluoroacetic Acid SCHEMBL28891676 0.79 ADRA2A (0.55) SLC2A1TNIKAURKACDK2CDK4
SCHEMBL30007675 0.74 CHEK1 (0.57) SLC2A1AURKACDK2CDK4CCNA2
SCHEMBL28862907 0.74 CHEK1 (0.57) SLC2A1AURKACDK2CDK4CCNA2
SCHEMBL11033969 0.74 SLC2A1 (0.56) SLC2A1TNIKAURKACDK2CDK4
SCHEMBL11027974 0.73 SLC2A1 (0.54) SLC2A1AURKACDK2CDK4CCNA2
SCHEMBL29875994 0.73 KDM4E (0.41) SLC2A1TNIKEML4ALKFLT3

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-115197154-A HPK1 inhibitor and application thereof in medicine 贝达药业股份有限公司 2022-10-18 — — CN disclosed
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