Sugi Predict

Sugi Predict / Compounds / SCHEMBL14019019

SCHEMBL14019019

SCHEMBL14019019

O=S1(=O)CCCCN1c1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3)c12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 15/20 0.40
▸ BRD4 O60885 1/20 0.37
▸ CALCA P06881 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAP2K4 P45985 1/20 0.34
▸ MAPK11 Q15759 1/20 0.33
▸ PARP1 P09874 1/20 0.33

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 0.89 MAPK14 (0.38) MAPK14BRD4CALCAMAPK11PARP1
SCHEMBL14019028 0.86 MAPK14 (0.39) MAPK14BRD4CALCAMAPK11
SCHEMBL4842618 0.70 MAPK14 (0.37) MAPK14ALDH1A1
SCHEMBL4015776 0.69 MAPK14 (0.65) MAPK14MAP2K4MAPK11
SCHEMBL13764817 0.69 MAPK14 (0.40) MAPK14BRD4MAPK11
SCHEMBL4020253 0.69 MAPK14 (0.45) MAPK14MAPK11
SCHEMBL4837598 0.68 ALDH1A1 (0.42) MAPK14KDM4EALDH1A1NPSR1
SCHEMBL4832890 0.68 LRRK2 (0.39) MAPK14ALDH1A1MAPK11
SCHEMBL4833098 0.68 MAPK14 (0.38) MAPK14
SCHEMBL4840914 0.67 MAPK14 (0.48) MAPK14MAPK11

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