SCHEMBL30002962

SCHEMBL30002962

CP(C)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)O)cc2)ncc1Cl

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.72
PTK2 Q05397 17/20 0.71
JAK2 O60674 1/20 0.61
AURKB Q96GD4 1/20 0.61
EGFR P00533 1/20 0.57

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
SCHEMBL24752369 1.00 AURKA (0.72) AURKAPTK2JAK2AURKBEGFR
SCHEMBL28969605 0.90 AURKA (0.69) AURKAPTK2JAK2AURKB
SCHEMBL30003005 0.89 AURKA (0.68) AURKAPTK2JAK2AURKB
SCHEMBL24753025 0.89 AURKA (0.68) AURKAPTK2JAK2AURKB
SCHEMBL29833016 0.89 PTK2 (0.74) AURKAPTK2EGFR
SCHEMBL24752678 0.88 PTK2 (0.69) PTK2
SCHEMBL30184231 0.88 PTK2 (0.69) PTK2
SCHEMBL24752371 0.88 GSK3B (0.70) AURKAPTK2JAK2AURKB
SCHEMBL30184376 0.88 GSK3B (0.70) AURKAPTK2JAK2AURKB
SCHEMBL26717249 0.85 INSR (0.72) PTK2EGFR

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