SCHEMBL28891628

SCHEMBL28891628

Cc1cc(Nc2cc3ccncc3nc2C(N)=O)cc(C)c1N1CCN(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 3/20 0.41
▸ PIM1 P11309 2/20 0.39
▸ TTK P33981 2/20 0.39
▸ PIM2 Q9P1W9 2/20 0.39
▸ CDK2 P24941 4/20 0.37
▸ SRC P12931 3/20 0.37
▸ EML4 Q9HC35 2/20 0.37
▸ ALK Q9UM73 2/20 0.37
▸ PLK1 P53350 2/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ ROS1 P08922 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ MARK3 P27448 1/20 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
SCHEMBL28891635 0.92 SLC2A1 (0.41) SLC2A1PIM1TTKPIM2CDK2
SCHEMBL28891616 0.87 ADRA2A (0.41) SLC2A1PIM1TTKPIM2CDK2
SCHEMBL29875779 0.87 ADRA2A (0.41) SLC2A1PIM1TTKPIM2CDK2
SCHEMBL28891651 0.86 SLC2A1 (0.54) SLC2A1PIM1TTKPIM2CDK2
SCHEMBL29875994 0.85 KDM4E (0.41) SLC2A1PIM1TTKPIM2EML4
SCHEMBL28891734 0.85 KDM4E (0.41) SLC2A1PIM1TTKPIM2EML4
SCHEMBL28891739 0.82 SLC2A1 (0.39) SLC2A1CDK2EML4ALKAURKA
SCHEMBL29875822 0.77 KDM4E (0.38) EML4ALKCHEK1CLK4LRRK2
SCHEMBL29876463 0.76 EML4 (0.47) PIM1EML4ALKROS1FLT3
SCHEMBL28891852 0.76 EML4 (0.47) PIM1EML4ALKROS1FLT3

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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