SCHEMBL5686291

SCHEMBL5686291

CCCNC(=O)c1ccc(Oc2nc(Nc3ccc(C(=O)N(C)CCN(CC)CC)cc3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.46
JAK3 P52333 1/20 0.46
BTK Q06187 1/20 0.46
TNK2 Q07912 1/20 0.46
IGF1R P08069 5/20 0.41
ROCK2 O75116 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
AURKA O14965 1/20 0.37
TTK P33981 1/20 0.37
PLK1 P53350 1/20 0.37
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37

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
SCHEMBL4499766 0.95 LCK (0.46) LCKJAK3BTKTNK2IGF1R
SCHEMBL5686297 0.92 LCK (0.45) LCKJAK3BTKTNK2IGF1R
SCHEMBL4502146 0.91 LCK (0.47) LCKJAK3BTKTNK2ABL1
SCHEMBL4494883 0.91 LCK (0.48) LCKJAK3BTKTNK2ABL1
SCHEMBL5686161 0.91 LCK (0.43) LCKJAK3BTKTNK2IGF1R
SCHEMBL4481544 0.90 LCK (0.46) LCKJAK3BTKTNK2IGF1R
SCHEMBL4495907 0.90 LCK (0.47) LCKJAK3BTKTNK2ABL1
SCHEMBL4501181 0.90 LCK (0.55) LCKJAK3BTKTNK2POLB
SCHEMBL4483160 0.88 LCK (0.49) LCKJAK3BTKTNK2AURKA
SCHEMBL4488109 0.87 LCK (0.47) LCKJAK3BTKTNK2ABL1

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 4 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 claimed
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 claimed
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