SCHEMBL28891852

SCHEMBL28891852

Cc1cc(Nc2nc3ccccc3nc2C(N)=O)cc(C)c1N1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EML4 Q9HC35 15/20 0.47
▸ ALK Q9UM73 15/20 0.47
▸ PIK3CD O00329 1/20 0.47
▸ RET P07949 10/20 0.44
▸ ROS1 P08922 10/20 0.44
▸ FLT3 P36888 10/20 0.44
▸ PIM1 P11309 2/20 0.42
▸ HRH4 Q9H3N8 1/20 0.41

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
SCHEMBL29876463 1.00 EML4 (0.47) EML4ALKPIK3CDRETROS1
SCHEMBL28891616 0.85 ADRA2A (0.41) EML4ALKROS1FLT3PIM1
SCHEMBL29875779 0.85 ADRA2A (0.41) EML4ALKROS1FLT3PIM1
SCHEMBL29875589 0.83 RET (0.58) EML4ALKRETROS1FLT3
SCHEMBL28891673 0.83 RET (0.58) EML4ALKRETROS1FLT3
SCHEMBL13405476 0.78 PIM1 (0.51) ALKPIK3CDRETROS1PIM1
SCHEMBL29875994 0.77 KDM4E (0.41) EML4ALKRETROS1FLT3
SCHEMBL28891734 0.77 KDM4E (0.41) EML4ALKRETROS1FLT3
SCHEMBL28891635 0.76 SLC2A1 (0.41) EML4ALKRETROS1FLT3
SCHEMBL28891628 0.76 SLC2A1 (0.41) EML4ALKROS1FLT3PIM1

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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