SCHEMBL30003005

SCHEMBL30003005

CCP(=O)(CC)c1ccccc1Nc1nc(Nc2ccc(C(=O)O)cc2)ncc1Cl

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.68
JAK2 O60674 1/20 0.58
AURKB Q96GD4 1/20 0.58
PTK2 Q05397 15/20 0.58

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
SCHEMBL24753025 1.00 AURKA (0.68) AURKAJAK2AURKBPTK2
SCHEMBL24752369 0.89 AURKA (0.72) AURKAJAK2AURKBPTK2
SCHEMBL30002962 0.89 AURKA (0.72) AURKAJAK2AURKBPTK2
SCHEMBL24752271 0.89 PTK2 (0.57) AURKAPTK2
SCHEMBL24753024 0.88 PTK2 (0.56) AURKAPTK2
SCHEMBL28969605 0.87 AURKA (0.69) AURKAJAK2AURKBPTK2
SCHEMBL24752409 0.86 GSK3A (0.68) AURKAJAK2AURKBPTK2
SCHEMBL24752267 0.85 PTK2 (0.53) AURKAPTK2
SCHEMBL5258861 0.81 AURKA (0.78) AURKAJAK2AURKB
SCHEMBL24752709 0.80 AURKA (0.78) AURKAJAK2AURKBPTK2

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