SCHEMBL6989437

SCHEMBL6989437

Cc1cccc2cc(CNc3nc(I)ncc3F)c(-c3ccccc3Cl)nc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.58
L3MBTL1 Q9Y468 2/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL1312808 0.82 PIK3CD (0.48) PIK3CDL3MBTL1KDM4EALDH1A1CYP1A2
SCHEMBL1313527 0.81 PIK3CD (0.49) PIK3CDKDM4E
SCHEMBL1313156 0.80 PIK3CD (0.63) PIK3CDL3MBTL1DRD4DRD3
SCHEMBL1313191 0.77 PIK3CD (0.58) PIK3CD
SCHEMBL6745119 0.77 PIK3CD (0.62) PIK3CDL3MBTL1DRD4DRD3
SCHEMBL6990066 0.76 PIK3CD (0.45) PIK3CDL3MBTL1DRD4DRD3KDM4E
SCHEMBL788676 0.76 PIK3CD (0.58) PIK3CD
SCHEMBL1317455 0.75 PIK3CD (0.44) PIK3CDKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL15471385 0.74 PIK3CD (0.98) PIK3CDL3MBTL1DRD4DRD3GAA
SCHEMBL1313281 0.74 PIK3CD (0.56) PIK3CDL3MBTL1DRD4DRD3

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
US-8183259-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-05-22 US disclosed