SCHEMBL14019028

SCHEMBL14019028

O=S1(=O)CCCN1c1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.39
BRD4 O60885 1/20 0.39
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK11 Q15759 1/20 0.32
CALCA P06881 1/20 0.32

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
SCHEMBL14018828 0.98 MAPK14 (0.38) MAPK14BRD4ALOX5APFEN1MAPK11
SCHEMBL14019019 0.86 MAPK14 (0.40) MAPK14BRD4MAPK11CALCA
SCHEMBL4842618 0.83 MAPK14 (0.37) MAPK14
SCHEMBL4837598 0.82 ALDH1A1 (0.42) MAPK14
SCHEMBL4833720 0.80 KDM4E (0.38) MAPK14
SCHEMBL4837825 0.80 MAPK14 (0.39) MAPK14
SCHEMBL4836118 0.80 MAPK14 (0.36) MAPK14MAPK11
SCHEMBL4840914 0.80 MAPK14 (0.48) MAPK14MAPK11
SCHEMBL14018800 0.80 CNR2 (0.36) MAPK14
SCHEMBL4832890 0.79 LRRK2 (0.39) MAPK14CDK2MAPK11

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
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed