SCHEMBL3225937

SCHEMBL3225937

O=C(Nc1ccc(F)cc1)c1cc(Nc2cc(F)c(O)c(F)c2)ncn1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.53
ERBB3 P21860 1/20 0.53
S1PR1 P21453 9/20 0.52
SNCA P37840 1/20 0.46
KMO O15229 1/20 0.45
LCK P06239 2/20 0.45
KCNH2 Q12809 1/20 0.44
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
S1PR3 Q99500 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RX1 P51575 1/20 0.41

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 0.90 EGFR (0.64) EGFRERBB3S1PR1KMOLCK
SCHEMBL3221284 0.87 S1PR1 (0.63) EGFRERBB3S1PR1KMOLCK
SCHEMBL3226606 0.85 EGFR (0.53) EGFRERBB3S1PR1KMOLCK
SCHEMBL3222525 0.85 EGFR (0.73) EGFRERBB3S1PR1KMOLCK
SCHEMBL3228067 0.85 EGFR (0.58) EGFRERBB3S1PR1KMOLCK
SCHEMBL3225967 0.84 EGFR (0.57) EGFRERBB3S1PR1KMOLCK
SCHEMBL13456856 0.84 EGFR (0.57) EGFRERBB3S1PR1KMOLCK
SCHEMBL3229185 0.84 EGFR (0.57) EGFRERBB3S1PR1KMOLCK
SCHEMBL3230965 0.83 S1PR1 (0.56) EGFRERBB3S1PR1KMOLCK
SCHEMBL3226072 0.82 EGFR (0.56) EGFRERBB3S1PR1KMOLCK

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