SCHEMBL3228067

SCHEMBL3228067

O=C(Nc1ccc(F)cc1)c1cc(Nc2ccccc2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.58
ERBB3 P21860 3/20 0.58
S1PR1 P21453 3/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 1/20 0.56
LCK P06239 2/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
KMO O15229 2/20 0.50
HDAC3 O15379 1/20 0.49
NCOR1 O75376 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
JAK3 P52333 1/20 0.47
GAA P10253 1/20 0.47

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) EGFRERBB3S1PR1MEN1KMT2A
SCHEMBL3226154 0.92 S1PR1 (0.61) EGFRERBB3S1PR1MEN1KMT2A
SCHEMBL3225361 0.90 EGFR (0.62) EGFRERBB3S1PR1MEN1KMT2A
SCHEMBL3226072 0.90 EGFR (0.56) EGFRERBB3S1PR1MEN1KMT2A
SCHEMBL3222525 0.90 EGFR (0.73) EGFRERBB3S1PR1MEN1KMT2A
SCHEMBL3221284 0.90 S1PR1 (0.63) EGFRERBB3S1PR1LCKNPC1
SCHEMBL3229185 0.88 EGFR (0.57) EGFRERBB3S1PR1MEN1KMT2A
SCHEMBL3219928 0.88 NPC1 (0.56) EGFRERBB3S1PR1MEN1KMT2A
SCHEMBL3225967 0.88 EGFR (0.57) EGFRERBB3S1PR1LCKNPC1
SCHEMBL13456856 0.88 EGFR (0.57) 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 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