SCHEMBL3224951

SCHEMBL3224951

CS(=O)(=O)Nc1ccc(Nc2cc(C(=O)Nc3ccc(F)cc3)ncn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.62
EGFR P00533 1/20 0.53
ERBB3 P21860 1/20 0.53
KMT2A Q03164 3/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
LCK P06239 2/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
USP2 O75604 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 2/20 0.44

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
SCHEMBL3222813 0.89 EGFR (0.64) S1PR1EGFRERBB3KMT2ALCK
SCHEMBL3225967 0.85 EGFR (0.57) S1PR1EGFRERBB3LCKCYP1A2
SCHEMBL3229185 0.85 EGFR (0.57) S1PR1EGFRERBB3KMT2ALCK
SCHEMBL3222525 0.84 EGFR (0.73) S1PR1EGFRERBB3KMT2ALCK
SCHEMBL3228067 0.84 EGFR (0.58) S1PR1EGFRERBB3KMT2ALCK
SCHEMBL3221284 0.84 S1PR1 (0.63) S1PR1EGFRERBB3LCKSMN1; SMN2
SCHEMBL13456856 0.83 EGFR (0.57) S1PR1EGFRERBB3KMT2ALCK
SCHEMBL3233015 0.82 MEN1 (0.58) S1PR1EGFRERBB3KMT2AABL1
SCHEMBL3218204 0.82 EGFR (0.63) S1PR1EGFRERBB3KMT2AABL1
SCHEMBL3226692 0.82 TNNI3K (0.56) S1PR1EGFRERBB3KMT2ALCK

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 4 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-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO disclosed