SCHEMBL3222503

SCHEMBL3222503

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.51
ERBB3 P21860 4/20 0.51
S1PR1 P21453 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
KDR P35968 2/20 0.47
CXCR1 P25024 1/20 0.47
CXCR2 P25025 1/20 0.47
MTNR1B P49286 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
LCK P06239 2/20 0.44
KMT2A Q03164 1/20 0.43

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 0.87 EGFR (0.64) EGFRERBB3S1PR1NPC1RAB9A
SCHEMBL3225967 0.86 EGFR (0.57) EGFRERBB3S1PR1NPC1RAB9A
SCHEMBL3229185 0.83 EGFR (0.57) EGFRERBB3S1PR1NPC1RAB9A
SCHEMBL3233015 0.83 MEN1 (0.58) EGFRERBB3S1PR1NPC1RAB9A
SCHEMBL3228067 0.82 EGFR (0.58) EGFRERBB3S1PR1NPC1RAB9A
SCHEMBL3221284 0.82 S1PR1 (0.63) EGFRERBB3S1PR1NPC1RAB9A
SCHEMBL3222525 0.82 EGFR (0.73) EGFRERBB3S1PR1NPC1RAB9A
SCHEMBL13456856 0.81 EGFR (0.57) EGFRERBB3S1PR1NPC1RAB9A
SCHEMBL3218204 0.81 EGFR (0.63) EGFRERBB3S1PR1NPC1RAB9A
SCHEMBL3225361 0.80 EGFR (0.62) EGFRERBB3S1PR1NPC1RAB9A

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