SCHEMBL3222813

SCHEMBL3222813

O=C(Nc1ccc(F)cc1)c1cc(Nc2ccc(F)cc2)ncn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.64
ERBB3 P21860 1/20 0.64
S1PR1 P21453 6/20 0.55
KMO O15229 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
LCK P06239 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
KCNH2 Q12809 1/20 0.47
POLB P06746 1/20 0.47
MAPK10 P53779 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 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
SCHEMBL3228067 0.95 EGFR (0.58) EGFRERBB3S1PR1KMOLCK
SCHEMBL3222525 0.95 EGFR (0.73) EGFRERBB3S1PR1KMOSMN1; SMN2
SCHEMBL3221284 0.95 S1PR1 (0.63) EGFRERBB3S1PR1KMOSMN1; SMN2
SCHEMBL3225967 0.93 EGFR (0.57) EGFRERBB3S1PR1KMOSMN1; SMN2
SCHEMBL3229185 0.93 EGFR (0.57) EGFRERBB3S1PR1KMOSMN1; SMN2
SCHEMBL13456856 0.93 EGFR (0.57) EGFRERBB3S1PR1KMOSMN1; SMN2
SCHEMBL3225361 0.92 EGFR (0.62) EGFRERBB3S1PR1KMOSMN1; SMN2
SCHEMBL3227860 0.91 EGFR (0.58) EGFRERBB3S1PR1KMOLCK
SCHEMBL3225985 0.91 EGFR (0.61) EGFRERBB3S1PR1KMOLCK
SCHEMBL3218204 0.90 EGFR (0.63) EGFRERBB3S1PR1SMN1; SMN2LCK

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