SCHEMBL3227948

SCHEMBL3227948

COc1ccccc1Nc1cc(C(=O)Nc2ccc(F)cc2)ncn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.61
EGFR P00533 2/20 0.54
ERBB3 P21860 2/20 0.54
ALDH1A1 P00352 2/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
PDE4D Q08499 1/20 0.48
GRM4 Q14833 2/20 0.48
LCK P06239 1/20 0.48
TNNI3K Q59H18 1/20 0.47
MAPT P10636 2/20 0.46

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
SCHEMBL3226915 0.92 S1PR1 (0.61) S1PR1EGFRERBB3ALDH1A1GRM4
SCHEMBL3233015 0.83 MEN1 (0.58) S1PR1EGFRERBB3ALDH1A1USP2
SCHEMBL3228067 0.82 EGFR (0.58) S1PR1EGFRERBB3CYP1A2CYP2D6
SCHEMBL3222813 0.82 EGFR (0.64) S1PR1EGFRERBB3ALDH1A1LMNA
SCHEMBL3233497 0.81 KMT2A (0.51) S1PR1EGFRERBB3ALDH1A1USP2
SCHEMBL25389479 0.81 MAPK10 (0.55) S1PR1EGFRERBB3ALDH1A1JAK2
SCHEMBL29501419 0.81 MAPK10 (0.55) S1PR1EGFRERBB3ALDH1A1JAK2
SCHEMBL25388907 0.81 MAPK10 (0.55) S1PR1EGFRERBB3ALDH1A1HSD17B10
SCHEMBL30443326 0.81 MAPK10 (0.55) S1PR1EGFRERBB3ALDH1A1HSD17B10
SCHEMBL3229185 0.79 EGFR (0.57) S1PR1EGFRERBB3ALDH1A1USP2

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 2 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