SCHEMBL29875822

SCHEMBL29875822

Cc1cc(Nc2cc3ccc(C(N)=O)cc3nc2C(=O)N(C)C)cc(C)c1N1CCN(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ WDR5 P61964 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ TNIK Q9UKE5 4/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ BRAF P15056 2/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ EML4 Q9HC35 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL29875994 0.92 KDM4E (0.41) KDM4EALDH1A1HSD17B10TNIKLRRK2
SCHEMBL28891734 0.92 KDM4E (0.41) KDM4EALDH1A1HSD17B10TNIKLRRK2
SCHEMBL28891616 0.80 ADRA2A (0.41) KDM4EALDH1A1WDR5KMT2ACLK4
SCHEMBL29875779 0.80 ADRA2A (0.41) KDM4EALDH1A1WDR5KMT2ACLK4
SCHEMBL28891739 0.79 SLC2A1 (0.39) KDM4EALDH1A1HTR1DMAPK14EML4
SCHEMBL28891628 0.77 SLC2A1 (0.41) CLK4TNIKLRRK2CHEK1EML4
SCHEMBL28891635 0.76 SLC2A1 (0.41) CLK4TNIKCHEK1EML4ALK
Trifluoroacetic Acid SCHEMBL29875659 0.76 PTK2 (0.44) TNIKCHEK1
SCHEMBL29876463 0.72 EML4 (0.47) EML4ALK
SCHEMBL28891852 0.72 EML4 (0.47) EML4ALK

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
Send feedback