SCHEMBL5689113

SCHEMBL5689113

COc1ccccc1Oc1nc(Nc2cccc(C(=O)NCCN(C)C)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.53
CDK2 P24941 2/20 0.53
CDK9 P50750 2/20 0.53
CCNE1 P24864 1/20 0.53
LCK P06239 1/20 0.50
JAK3 P52333 1/20 0.50
BTK Q06187 1/20 0.50
TNK2 Q07912 1/20 0.50
PTK2 Q05397 8/20 0.49
CCNA2 P20248 1/20 0.45
IGF1R P08069 1/20 0.45
SRC P12931 3/20 0.43
YES1 P07947 1/20 0.43
PDGFRB P09619 1/20 0.43
MAPK7 Q13164 1/20 0.43
BRAF P15056 1/20 0.43
FYN P06241 1/20 0.42
AURKA O14965 1/20 0.42
TTK P33981 1/20 0.42
PLK1 P53350 1/20 0.42

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
SCHEMBL4508576 0.93 LCK (0.58) CCNT1CDK2CDK9CCNE1LCK
SCHEMBL5686350 0.92 LCK (0.55) CCNT1CDK2CDK9CCNE1LCK
SCHEMBL4501894 0.90 CCNT1 (0.46) CCNT1CDK2CDK9CCNE1LCK
SCHEMBL4497894 0.87 CCNT1 (0.43) CCNT1CDK2CDK9CCNE1LCK
SCHEMBL4484444 0.85 LCK (0.64) CCNT1CDK2CDK9CCNE1LCK
SCHEMBL4505987 0.83 LCK (0.48) CCNT1CDK2CDK9CCNE1LCK
SCHEMBL4500587 0.83 LCK (0.61) LCKJAK3BTKTNK2PTK2
SCHEMBL4500046 0.81 LCK (0.47) CCNT1CDK2CDK9CCNE1LCK
SCHEMBL4565004 0.80 ULK1 (0.58) CDK2LCKJAK3BTKTNK2
SCHEMBL4484056 0.79 LCK (0.56) CCNT1CDK2CDK9LCKJAK3

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
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed