SCHEMBL3226692

SCHEMBL3226692

CS(=O)(=O)c1cccc(Nc2cc(C(=O)Nc3ccc(F)cc3)ncn2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 10/20 0.56
EGFR P00533 3/20 0.49
ERBB3 P21860 1/20 0.49
S1PR1 P21453 2/20 0.48
AURKB Q96GD4 1/20 0.48
CCNT1 O60563 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK9 P50750 1/20 0.46
ROCK1 Q13464 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LCK P06239 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
SCHEMBL3225379 0.91 TNNI3K (0.60) TNNI3KEGFRS1PR1ROCK1MEN1
SCHEMBL3227005 0.87 TNNI3K (0.57) TNNI3KEGFRS1PR1ROCK1MEN1
SCHEMBL3226072 0.85 EGFR (0.56) EGFRERBB3S1PR1MEN1KMT2A
SCHEMBL3230965 0.83 S1PR1 (0.56) EGFRERBB3S1PR1MEN1ALDH1A1
SCHEMBL3231547 0.83 EGFR (0.60) TNNI3KEGFRERBB3S1PR1MEN1
SCHEMBL3228067 0.83 EGFR (0.58) EGFRERBB3S1PR1MEN1KMT2A
SCHEMBL3222813 0.83 EGFR (0.64) EGFRERBB3S1PR1MEN1ALDH1A1
SCHEMBL3224951 0.82 S1PR1 (0.62) EGFRERBB3S1PR1CDK9MEN1
SCHEMBL3232976 0.82 SMN1; SMN2 (0.53) EGFRERBB3S1PR1MEN1KMT2A
SCHEMBL3229185 0.79 EGFR (0.57) EGFRERBB3S1PR1CDK2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO claimed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO claimed
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO disclosed
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO disclosed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO disclosed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO disclosed