SCHEMBL3226072

SCHEMBL3226072

O=C(Nc1ccc(F)cc1)c1cc(Nc2cccc(F)c2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.56
ERBB3 P21860 1/20 0.56
S1PR1 P21453 3/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
MAPK10 P53779 1/20 0.49
KMO O15229 1/20 0.48
LCK P06239 2/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
JAK3 P52333 1/20 0.46

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
SCHEMBL3230965 0.90 S1PR1 (0.56) EGFRERBB3S1PR1MEN1KMT2A
SCHEMBL3231547 0.90 EGFR (0.60) EGFRERBB3S1PR1MEN1KMT2A
SCHEMBL3228067 0.90 EGFR (0.58) EGFRERBB3S1PR1MEN1KMT2A
SCHEMBL3222813 0.90 EGFR (0.64) EGFRERBB3S1PR1MEN1KMT2A
SCHEMBL3219928 0.89 NPC1 (0.56) EGFRERBB3S1PR1MEN1KMT2A
SCHEMBL3232643 0.88 S1PR1 (0.50) EGFRERBB3S1PR1MEN1KMT2A
SCHEMBL3232976 0.86 SMN1; SMN2 (0.53) EGFRERBB3S1PR1MEN1KMT2A
SCHEMBL3226692 0.85 TNNI3K (0.56) EGFRERBB3S1PR1MEN1KMT2A
SCHEMBL3221284 0.85 S1PR1 (0.63) EGFRERBB3S1PR1SMN1; SMN2KMO
SCHEMBL3222525 0.85 EGFR (0.73) EGFRERBB3S1PR1MEN1KMT2A

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