SCHEMBL2718286

SCHEMBL2718286

Fc1ccc2ncc(CCNc3ncnc4nc[nH]c34)c(-c3ccccc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.54
MAPK1 P28482 4/20 0.54
TAAR1 Q96RJ0 1/20 0.54
LMNA P02545 8/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GFER P55789 2/20 0.52
TSHR P16473 5/20 0.50
HSD17B10 Q99714 5/20 0.50
CDK5 Q00535 2/20 0.48
AURKA O14965 1/20 0.48
DAPK3 O43293 1/20 0.48
JAK2 O60674 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48
ABL1 P00519 1/20 0.48
LCK P06239 1/20 0.48
CSF1R P07333 1/20 0.48

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
SCHEMBL2718520 0.87 HTT (0.41) HTTMAPK1TAAR1LMNASMN1; SMN2
SCHEMBL2718228 0.80 MAP4K4 (0.42) HTTMAPK1LMNASMN1; SMN2CDK5
SCHEMBL2719382 0.79 PIK3CD (0.55) CYP3A4PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2719011 0.76 HTT (0.40) HTTMAPK1TAAR1LMNASMN1; SMN2
SCHEMBL2721157 0.72 HTR2A (0.40) HTTTAAR1MAPTCDK8MEN1
SCHEMBL2717867 0.72 PIK3CD (0.48) MAP4K4CYP3A4PIK3CDPIK3CGPIK3CB
SCHEMBL34460852 0.72 HTT (1.00) HTTMAPK1TAAR1LMNASMN1; SMN2
SCHEMBL2721364 0.71 PIK3CD (0.51) CYP3A4PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2717381 0.70 PIK3CD (0.46) HTTMAP4K4CDK8CYP3A4PIK3CD
SCHEMBL2717253 0.70 PIK3CD (0.46) MAPK1LMNATSHRHSD17B10MAP4K4

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
EP-2635565-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS Amgen Inc. (US) 2013-09-11 EP disclosed
WO-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 WO disclosed