SCHEMBL3225967

SCHEMBL3225967

Cc1ccc(Nc2cc(C(=O)Nc3ccc(F)cc3)ncn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.57
ERBB3 P21860 1/20 0.57
S1PR1 P21453 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
LCK P06239 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 2/20 0.47
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
KMO O15229 1/20 0.46
KCNH2 Q12809 1/20 0.45

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 0.93 EGFR (0.64) EGFRERBB3S1PR1SMN1; SMN2NPC1
SCHEMBL3229185 0.90 EGFR (0.57) EGFRERBB3S1PR1SMN1; SMN2NPC1
SCHEMBL3222525 0.88 EGFR (0.73) EGFRERBB3S1PR1SMN1; SMN2NPC1
SCHEMBL3228067 0.88 EGFR (0.58) EGFRERBB3S1PR1NPC1RAB9A
SCHEMBL3221284 0.88 S1PR1 (0.63) EGFRERBB3S1PR1SMN1; SMN2NPC1
SCHEMBL13456856 0.87 EGFR (0.57) EGFRERBB3S1PR1SMN1; SMN2NPC1
SCHEMBL3218204 0.86 EGFR (0.63) EGFRERBB3S1PR1SMN1; SMN2NPC1
SCHEMBL3233015 0.86 MEN1 (0.58) EGFRERBB3S1PR1SMN1; SMN2NPC1
SCHEMBL3225361 0.86 EGFR (0.62) EGFRERBB3S1PR1SMN1; SMN2NPC1
SCHEMBL3222503 0.86 EGFR (0.51) EGFRERBB3S1PR1SMN1; SMN2NPC1

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