SCHEMBL3229185

SCHEMBL3229185

CC(=O)Nc1ccc(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 6/20 0.53
LCK P06239 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
KMO O15229 1/20 0.46
KCNH2 Q12809 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP2C19 P33261 2/20 0.44
CCNA2 P20248 1/20 0.44

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) EGFRERBB3S1PR1LCKSMN1; SMN2
SCHEMBL3225967 0.90 EGFR (0.57) EGFRERBB3S1PR1LCKSMN1; SMN2
SCHEMBL3222525 0.88 EGFR (0.73) EGFRERBB3S1PR1LCKSMN1; SMN2
SCHEMBL3228067 0.88 EGFR (0.58) EGFRERBB3S1PR1LCKNPC1
SCHEMBL3221284 0.88 S1PR1 (0.63) EGFRERBB3S1PR1LCKSMN1; SMN2
SCHEMBL13456856 0.87 EGFR (0.57) EGFRERBB3S1PR1LCKSMN1; SMN2
SCHEMBL3233015 0.86 MEN1 (0.58) EGFRERBB3S1PR1SMN1; SMN2ALDH1A1
SCHEMBL3218204 0.86 EGFR (0.63) EGFRERBB3S1PR1LCKSMN1; SMN2
SCHEMBL3225361 0.86 EGFR (0.62) EGFRERBB3S1PR1LCKSMN1; SMN2
SCHEMBL3224951 0.85 S1PR1 (0.62) EGFRERBB3S1PR1LCKSMN1; SMN2

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