SCHEMBL3466249

SCHEMBL3466249

COc1cncc(-c2cnc3c(NCCc4cccnc4)nccn23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 2/20 0.44
FYN P06241 4/20 0.42
BACE1 P56817 1/20 0.41
TTK P33981 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
ALOX15 P16050 1/20 0.40
PIM1 P11309 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
ZAP70 P43403 1/20 0.39

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
SCHEMBL12409323 0.80 PIK3CA (0.46) FYNTTKPIM1ALDH1A1ADORA3
SCHEMBL3467040 0.79 TTK (0.50) TTKCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12409319 0.78 TTK (0.47) FYNTTK
SCHEMBL3466301 0.78 PTGDR (0.39) PTGDRTTKADORA3ZAP70KARS1
SCHEMBL3469812 0.77 ZAP70 (0.47) FYNHSD17B10ALDH1A1LMNAMAPK1
SCHEMBL12409234 0.75 FYN (0.54) FYNTTKCYP1A2CYP3A4CYP2D6
SCHEMBL3467695 0.74 TTK (0.62) FYNTTKMAPK1
SCHEMBL3470355 0.74 CYP1A2 (0.53) FYNTTKCYP1A2CYP3A4CYP2D6
SCHEMBL12409292 0.74 FYN (0.60) FYNTTKALDH1A1
SCHEMBL9966195 0.73 TTK (0.74) TTK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO claimed
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO disclosed
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO disclosed