SCHEMBL3218204

SCHEMBL3218204

CNC(=O)c1ccc(Nc2cc(C(=O)Nc3ccc(F)cc3)ncn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.63
ERBB3 P21860 1/20 0.63
S1PR1 P21453 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
BACE1 P56817 1/20 0.46
LCK P06239 2/20 0.46
PTK2 Q05397 1/20 0.46
PTPN1 P18031 2/20 0.46
PIP5K1C O60331 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
P4HTM Q9NXG6 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 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 0.90 EGFR (0.64) EGFRERBB3S1PR1KMT2AMEN1
SCHEMBL3225361 0.88 EGFR (0.62) EGFRERBB3S1PR1KMT2AMEN1
SCHEMBL3225985 0.87 EGFR (0.61) EGFRERBB3S1PR1KMT2AMEN1
SCHEMBL3225967 0.86 EGFR (0.57) EGFRERBB3S1PR1LCKNPC1
SCHEMBL3229185 0.86 EGFR (0.57) EGFRERBB3S1PR1KMT2AMEN1
SCHEMBL3222525 0.85 EGFR (0.73) EGFRERBB3S1PR1KMT2AMEN1
SCHEMBL3221284 0.85 S1PR1 (0.63) EGFRERBB3S1PR1LCKNPC1
SCHEMBL3228067 0.85 EGFR (0.58) EGFRERBB3S1PR1KMT2AMEN1
SCHEMBL3227860 0.84 EGFR (0.58) EGFRERBB3S1PR1KCNQ3KCNQ2
SCHEMBL13456856 0.84 EGFR (0.57) EGFRERBB3S1PR1KMT2AMEN1

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