SCHEMBL30007675

SCHEMBL30007675

CN1CCN(c2ccc(Nc3ncc(-c4ccc(C#N)cc4)nc3C(N)=O)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 3/20 0.57
▸ SLC2A1 P11166 2/20 0.49
▸ EML4 Q9HC35 4/20 0.47
▸ ALK Q9UM73 4/20 0.47
▸ RET P07949 3/20 0.47
▸ ROS1 P08922 3/20 0.47
▸ FLT3 P36888 3/20 0.47
▸ JAK2 O60674 3/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ SYK P43405 2/20 0.47
▸ AURKA O14965 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CCND3 P30281 1/20 0.46
▸ CDK6 Q00534 1/20 0.46
▸ PIM1 P11309 1/20 0.45
▸ TTK P33981 1/20 0.45
▸ PIM2 Q9P1W9 1/20 0.45
▸ LCK P06239 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
SCHEMBL28862907 1.00 CHEK1 (0.57) CHEK1SLC2A1EML4ALKRET
SCHEMBL28862865 0.82 EGFR (0.53) SLC2A1EML4ALKRETROS1
SCHEMBL30007126 0.82 EGFR (0.53) SLC2A1EML4ALKRETROS1
SCHEMBL30261802 0.79 RET (0.57) EML4ALKRETROS1FLT3
SCHEMBL11029146 0.74 SLC2A1 (0.49) SLC2A1AURKACDK2CDK4CCNA2
SCHEMBL28891629 0.74 SLC2A1 (0.47) CHEK1SLC2A1EML4ALKRET
SCHEMBL17690587 0.73 SLC2A1 (0.58) SLC2A1EML4ALKRETROS1
SCHEMBL29875589 0.73 RET (0.58) SLC2A1EML4ALKRETROS1
SCHEMBL28891673 0.73 RET (0.58) SLC2A1EML4ALKRETROS1
SCHEMBL25561947 0.72 FLT3 (0.71) EML4ALKRETROS1FLT3

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-115197132-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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