SCHEMBL3433906

SCHEMBL3433906

COC(=O)c1ccc2c(c1)c(CC1COCCN1C(=O)c1ccc(OC)nc1)cn2C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3C2A O00443 1/20 0.41
PIK3C2B O00750 1/20 0.41
LRRK2 Q5S007 1/20 0.40
CD274 Q9NZQ7 1/20 0.38
HCRTR1 O43613 15/20 0.37
HCRTR2 O43614 15/20 0.37
CYP3A4 P08684 10/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3433343 0.91 PIK3C2A (0.41) PIK3C2APIK3C2BLRRK2CD274HCRTR1
SCHEMBL3433338 0.91 PIK3C2A (0.41) PIK3C2APIK3C2BLRRK2CD274HCRTR1
SCHEMBL944759 0.82 PIK3C2A (0.43) PIK3C2APIK3C2BHCRTR1HCRTR2CYP3A4
SCHEMBL3431129 0.82 PIK3C2A (0.43) PIK3C2APIK3C2BHCRTR1HCRTR2CYP3A4
SCHEMBL3435552 0.79 PIK3C2A (0.40) PIK3C2APIK3C2BLRRK2HCRTR1HCRTR2
SCHEMBL3435556 0.79 PIK3C2A (0.40) PIK3C2APIK3C2BLRRK2HCRTR1HCRTR2
SCHEMBL3437152 0.76 PIK3C2A (0.54) PIK3C2APIK3C2BLRRK2HCRTR1HCRTR2
SCHEMBL3436414 0.75 PIK3C2A (0.55) PIK3C2APIK3C2BHCRTR1HCRTR2CYP3A4
SCHEMBL3435977 0.73 PIK3C2A (0.41) PIK3C2APIK3C2BHCRTR1HCRTR2CYP3A4
SCHEMBL3435971 0.73 PIK3C2A (0.41) PIK3C2APIK3C2BHCRTR1HCRTR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010146351-A1 INDOLYLMETHYL-MORPHOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-12-23 WO disclosed