SCHEMBL1397262

SCHEMBL1397262

Cc1cc(C(N)=O)cc(C)c1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.50
PARP1 P09874 4/20 0.45
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 3/20 0.39
MAPT P10636 3/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.37
APOBEC3A P31941 1/20 0.37
HTT P42858 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
DHODH Q02127 1/20 0.37
BRD4 O60885 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
SCHEMBL2430779 0.86 CYP3A4 (0.47) POLBPARP1CYP3A4SMN1; SMN2CYP1A2
SCHEMBL26927748 0.86 TPMT (0.50) POLBCYP3A4SMN1; SMN2CYP1A2TSHR
SCHEMBL27417351 0.82 POLB (0.44) POLBPARP1CYP3A4SMN1; SMN2CYP1A2
SCHEMBL10831613 0.82 PARP1 (0.46) POLBPARP1CYP3A4SMN1; SMN2TSHR
SCHEMBL18471225 0.82 SMN1; SMN2 (0.49) POLBPARP1CYP3A4SMN1; SMN2TSHR
SCHEMBL580023 0.82 POLB (0.52) POLBPARP1SMN1; SMN2CYP1A2MAPT
SCHEMBL13545162 0.81 KMT2A (0.44) POLBPARP1CYP3A4CYP1A2TSHR
SCHEMBL13543241 0.81 POLB (0.39) POLBPARP1CYP3A4SMN1; SMN2TSHR
SCHEMBL3220166 0.80 CA1 (0.48) PARP1CYP3A4SMN1; SMN2CYP1A2TSHR
SCHEMBL7530230 0.80 CYP3A4 (0.56) POLBCYP3A4SMN1; SMN2CYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190834-B1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2011-03-02 EP claimed
EP-2190834-A1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2010-06-02 EP claimed
EP-2065380-A1 Pyridoneamide derivatives as focal adhesion kinase (FAK) inhibitors and their use for the treatment of cancer F.HOFFMANN-LA ROCHE AG (CH) 2009-06-03 EP claimed
WO-2009024332-A1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 WO claimed
EP-2190834-A1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2010-06-02 EP disclosed
EP-2065380-A1 Pyridoneamide derivatives as focal adhesion kinase (FAK) inhibitors and their use for the treatment of cancer F.HOFFMANN-LA ROCHE AG (CH) 2009-06-03 EP disclosed
WO-2009024332-A1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 WO disclosed