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SCHEMBL4053503

SCHEMBL4053503

COc1cccc(-c2c(-c3ccncc3)nn3c(-c4cccc(S(=O)(=O)NCCN(C)C)c4)ccnc23)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 9/20 0.51
▸ MAPT P10636 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAPK14 Q16539 6/20 0.40
▸ GSK3B P49841 1/20 0.39

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
SCHEMBL4053927 0.95 BRAF (0.50) BRAFMAPTTDP1MAPK14
SCHEMBL4051286 0.89 BRAF (0.51) BRAFMAPTTDP1MAPK14
SCHEMBL4053112 0.89 BRAF (0.51) BRAFMAPK14
SCHEMBL4056272 0.87 BRAF (0.53) BRAFMAPTTDP1MAPK14
SCHEMBL4058317 0.86 BRAF (0.57) BRAFMAPTTDP1MAPK14
SCHEMBL4050676 0.86 BRAF (0.51) BRAFMAPTTDP1MAPK14
SCHEMBL4056404 0.84 BRAF (0.50) BRAFMAPK14
SCHEMBL4051193 0.82 BRAF (0.51) BRAFMAPTTDP1MAPK14
SCHEMBL4049503 0.81 BRAF (0.51) BRAFMAPTTDP1MAPK14
SCHEMBL4051671 0.79 BRAF (0.49) BRAFMAPTTDP1MAPK14

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
WO-2009111260-A1 PHENYLSULFONAMIDE-SUBSTITUTED, PYRAZOLO[1, 5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-11 — — WO claimed
WO-2009111260-A1 PHENYLSULFONAMIDE-SUBSTITUTED, PYRAZOLO[1, 5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-11 — — WO disclosed