SCHEMBL30002994

SCHEMBL30002994

CONC(=O)c1ccc(Nc2ncc(Br)c(Nc3ccccc3P(C)(C)=O)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 15/20 0.55
GSK3B P49841 1/20 0.53
MAPK8 P45983 1/20 0.52
CHEK1 O14757 1/20 0.52
NTRK2 Q16620 1/20 0.52
EGFR P00533 2/20 0.49

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
SCHEMBL24752251 1.00 PTK2 (0.55) PTK2GSK3BMAPK8CHEK1NTRK2
SCHEMBL30184426 0.90 PTK2 (0.54) PTK2MAPK8
SCHEMBL28969639 0.90 PTK2 (0.54) PTK2MAPK8
SCHEMBL28969587 0.90 PTK2 (0.54) PTK2NTRK2
SCHEMBL24752245 0.89 PTK2 (0.57) PTK2NTRK2
SCHEMBL30002235 0.89 PTK2 (0.57) PTK2NTRK2
SCHEMBL24752678 0.89 PTK2 (0.69) PTK2
SCHEMBL24752249 0.89 AURKA (0.58) PTK2GSK3B
SCHEMBL30184428 0.89 AURKA (0.58) PTK2GSK3B
SCHEMBL30184231 0.89 PTK2 (0.69) PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116870016-B Heteroaromatic compound and medical application thereof 希格生科(深圳)有限公司 2024-05-28 CN disclosed
CN-117412981-A Phosphine oxide derivative and preparation method and application thereof 希格生科(深圳)有限公司 2024-01-16 CN disclosed
CN-116870016-A Heteroaromatic compound and medical application thereof 希格生科(深圳)有限公司 2023-10-13 CN disclosed
CN-115785154-A Heteroaromatic ring compounds and medical use thereof 希格生科(深圳)有限公司 2023-03-14 CN disclosed
WO-2022253081-A1 PHOSPHINE OXIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 希格生科(深圳)有限公司 2022-12-08 WO disclosed