SCHEMBL3221284

SCHEMBL3221284

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

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.63
EGFR P00533 1/20 0.58
ERBB3 P21860 1/20 0.58
S1PR3 Q99500 1/20 0.50
AURKA O14965 1/20 0.47
KMO O15229 1/20 0.47
LCK P06239 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
KCNH2 Q12809 1/20 0.43
ESRRG P62508 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 0.95 EGFR (0.64) S1PR1EGFRERBB3KMOLCK
SCHEMBL3228067 0.90 EGFR (0.58) S1PR1EGFRERBB3KMOLCK
SCHEMBL3222525 0.90 EGFR (0.73) S1PR1EGFRERBB3KMOLCK
SCHEMBL3225967 0.88 EGFR (0.57) S1PR1EGFRERBB3KMOLCK
SCHEMBL13456856 0.88 EGFR (0.57) S1PR1EGFRERBB3KMOLCK
SCHEMBL3229185 0.88 EGFR (0.57) S1PR1EGFRERBB3KMOLCK
SCHEMBL3229139 0.88 S1PR1 (0.72) S1PR1EGFRERBB3S1PR3KMO
SCHEMBL3230965 0.88 S1PR1 (0.56) S1PR1EGFRERBB3KMOLCK
SCHEMBL3225937 0.87 EGFR (0.53) S1PR1EGFRERBB3S1PR3KMO
SCHEMBL3225361 0.87 EGFR (0.62) S1PR1EGFRERBB3AURKAKMO

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