SCHEMBL3389650

SCHEMBL3389650

COc1ccc(C(=O)c2sc(NC3CCN(OC(=O)OC(C)(C)C)CC3)nc2N)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 5/20 0.53
CDK2 P24941 5/20 0.53
CDK5 Q00535 5/20 0.47
CDK5R1 Q15078 5/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
TUBB8B A6NNZ2 1/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45

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
SCHEMBL3388417 0.89 CCNA2 (0.66) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL3389148 0.87 CDK2 (0.49) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL3387481 0.86 CDK5 (0.65) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL3386123 0.85 MEN1 (0.52) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL3386135 0.85 CDK2 (0.51) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL3384731 0.83 CDK2 (0.53) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL28761671 0.83 CDK5 (0.52) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL3382774 0.82 CDK5 (0.68) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL3389151 0.81 CDK5 (0.49) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL3389651 0.81 CDK5 (0.59) CCNA2CDK2CDK5CDK5R1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771424-B1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-15 EP claimed