SCHEMBL30508324

SCHEMBL30508324

COC(=O)c1ccc(-c2cc(Br)cnc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.56
KDR P35968 4/20 0.56
CHEK2 O96017 7/20 0.51
MAP4K4 O95819 5/20 0.51
CHEK1 O14757 2/20 0.50
FYN P06241 3/20 0.49
IKBKE Q14164 1/20 0.48
TBK1 Q9UHD2 1/20 0.48
MKNK1 Q9BUB5 1/20 0.46

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
SCHEMBL29041952 1.00 PDGFRB (0.56) PDGFRBKDRCHEK2MAP4K4CHEK1
SCHEMBL16679826 0.84 PDGFRB (0.44) PDGFRBKDRCHEK2MAP4K4CHEK1
SCHEMBL26916995 0.84 FYN (0.52) CHEK2MAP4K4CHEK1FYNMKNK1
SCHEMBL12516834 0.82 FYN (0.69) CHEK2MAP4K4CHEK1FYNMKNK1
SCHEMBL16679304 0.81 MAPK1 (0.46) PDGFRBKDR
SCHEMBL22554101 0.81 CHEK2 (0.62) CHEK2MAP4K4CHEK1FYNMKNK1
SCHEMBL17668204 0.80 PDGFRB (0.69) PDGFRBKDRCHEK2MAP4K4CHEK1
SCHEMBL29124905 0.79 IKBKE (0.58) PDGFRBKDRCHEK2MAP4K4CHEK1
SCHEMBL16690867 0.78 VRK1 (0.43) PDGFRBKDRCHEK2MAP4K4FYN
SCHEMBL1328382 0.77 KDM4E (0.51) PDGFRBKDRIKBKETBK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478145-B ALK2 kinase inhibitors 杭州邦顺制药有限公司 2024-02-02 CN disclosed
CN-116478145-A ALK2 kinase inhibitors 杭州邦顺制药有限公司 2023-07-25 CN disclosed