SCHEMBL29732989

SCHEMBL29732989

CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(N4CCC(N(C)C)CC4)cc3OC)nc1-2

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.85
AURKA O14965 8/20 0.81
PLK1 P53350 4/20 0.72
CCNA2 P20248 3/20 0.72
CDK2 P24941 3/20 0.72
CCNA1 P78396 3/20 0.72
PLK3 Q9H4B4 1/20 0.64
PLK2 Q9NYY3 1/20 0.64

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
SCHEMBL1559619 1.00 TTK (0.85) TTKAURKAPLK1CCNA2CDK2
Phosphoric Acid SCHEMBL20599169 0.98 TTK (0.82) TTKAURKAPLK1CCNA2CDK2
Phosphoric Acid SCHEMBL29732994 0.98 TTK (0.82) TTKAURKAPLK1CCNA2CDK2
SCHEMBL15377650 0.96 TTK (0.89) TTKAURKAPLK1CCNA2CDK2
SCHEMBL1558564 0.96 TTK (0.81) TTKAURKAPLK1CCNA2CDK2
SCHEMBL1559628 0.96 TTK (0.81) TTKAURKAPLK1CCNA2CDK2
SCHEMBL22287182 0.96 TTK (0.78) TTKAURKAPLK1CCNA2CDK2
SCHEMBL15377685 0.92 TTK (0.82) TTKAURKAPLK1CCNA2CDK2
SCHEMBL1559641 0.92 TTK (1.00) TTKAURKAPLK1CCNA2CDK2
SCHEMBL1893861 0.92 TTK (0.71) TTKAURKAPLK1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4506015-A1 COMBINATION OF A MPS1 INHIBITOR AND AN ANTIBODY DRUG CONJUGATE Nerviano Medical Sciences S.r.l. (IT) 2025-02-12 EP claimed
WO-2025002962-A1 USE OF A MPS1 INHIBITOR FOR THE TREATMENT OF HEPATOCELLULAR CARCINOMA NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2025-01-02 WO claimed
WO-2025032079-A1 COMBINATION OF A MPS1 INHIBITOR AND AN ANTIBODY DRUG CONJUGATE NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2025-02-13 WO disclosed
EP-4506015-A1 COMBINATION OF A MPS1 INHIBITOR AND AN ANTIBODY DRUG CONJUGATE Nerviano Medical Sciences S.r.l. (IT) 2025-02-12 EP disclosed
EP-4506015-A1 COMBINATION OF A MPS1 INHIBITOR AND AN ANTIBODY DRUG CONJUGATE Nerviano Medical Sciences S.r.l. (IT) 2025-02-12 EP disclosed
WO-2025021587-A1 COMBINATION OF A MPS1 INHIBITOR AND IMMUNE CHECKPOINT INHIBITORS, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2025-01-30 WO disclosed
WO-2025002962-A1 USE OF A MPS1 INHIBITOR FOR THE TREATMENT OF HEPATOCELLULAR CARCINOMA NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2025-01-02 WO disclosed
CN-110896636-B Salts of compounds that inhibit MPS1 kinase, preparation thereof and formulations comprising the same 内尔维亚诺医疗科学公司 2022-07-19 CN disclosed