SCHEMBL28891651

SCHEMBL28891651

CN1CCN(c2ccc(Nc3cc4ccncc4nc3C(N)=O)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 3/20 0.54
▸ CDK2 P24941 3/20 0.49
▸ AURKA O14965 2/20 0.49
▸ CCNA2 P20248 2/20 0.49
▸ CDK4 P11802 1/20 0.49
▸ CCND3 P30281 1/20 0.49
▸ CDK6 Q00534 1/20 0.49
▸ PIM1 P11309 1/20 0.48
▸ TTK P33981 1/20 0.48
▸ PIM2 Q9P1W9 1/20 0.48
▸ SYK P43405 2/20 0.48
▸ TNIK Q9UKE5 1/20 0.47
▸ ADRA2A P08913 2/20 0.45
▸ ADRA2B P18089 2/20 0.45
▸ ADRA2C P18825 2/20 0.45
▸ STAT6 P42226 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ EML4 Q9HC35 2/20 0.44
▸ ALK Q9UM73 2/20 0.44
▸ RET P07949 1/20 0.44

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
SCHEMBL28891628 0.86 SLC2A1 (0.41) SLC2A1CDK2AURKACCNA2CDK4
Trifluoroacetic Acid SCHEMBL28891676 0.81 ADRA2A (0.55) SLC2A1CDK2AURKACCNA2CDK4
SCHEMBL28891629 0.81 SLC2A1 (0.47) SLC2A1CDK2AURKACCNA2CDK4
Trifluoroacetic Acid SCHEMBL29876164 0.81 ADRA2A (0.55) SLC2A1CDK2AURKACCNA2CDK4
SCHEMBL11030051 0.78 SLC2A1 (0.57) SLC2A1CDK2AURKACCNA2CDK4
SCHEMBL28891635 0.78 SLC2A1 (0.41) SLC2A1CDK2AURKACCNA2CDK4
SCHEMBL11027974 0.78 SLC2A1 (0.54) SLC2A1CDK2AURKACCNA2CDK4
SCHEMBL23080983 0.77 LCK (0.54) SLC2A1CDK2AURKACCNA2CDK4
SCHEMBL11031861 0.76 SLC2A1 (0.55) SLC2A1CDK2AURKACCNA2CDK4
SCHEMBL11029599 0.75 MAPKAPK2 (0.58) SLC2A1CDK2AURKACCNA2CDK4

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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