SCHEMBL2054366

SCHEMBL2054366

Nc1nc(NCCc2ccc3ccccc3c2-c2cccc(F)c2)c2nc[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NUDT1 P36639 1/20 0.39
BRAF P15056 1/20 0.38
SYK P43405 1/20 0.37
APP P05067 2/20 0.37
ADORA2A P29274 1/20 0.36
GBA1 P04062 1/20 0.35
PIK3CD O00329 3/20 0.35
IP6K1 Q92551 1/20 0.35
TP53 P04637 1/20 0.35
PIK3CG P48736 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2051915 0.89 NUDT1 (0.38) LMNAMAPK1HTTSMN1; SMN2NUDT1
SCHEMBL2015901 0.89 MAPK1 (0.48) LMNAMAPK1HTTSMN1; SMN2SYK
SCHEMBL2054227 0.80 PIK3CD (0.41) NUDT1BRAFSYKAPPGBA1
SCHEMBL2013861 0.78 PIK3CD (0.54) PIK3CDPIK3CG
SCHEMBL2053387 0.78 MAPK1 (0.44) LMNAMAPK1HTTSMN1; SMN2GBA1
SCHEMBL2013295 0.77 PIK3CD (0.53) LMNAMAPK1HTTSMN1; SMN2SYK
SCHEMBL17397134 0.77 PIK3CD (0.41) NUDT1BRAFPIK3CDPIK3CG
SCHEMBL17397272 0.76 PIK3CD (0.46) PIK3CDPIK3CG
SCHEMBL2016100 0.75 MAP4K4 (0.40) LMNAMAPK1HTTSMN1; SMN2SYK
SCHEMBL2051140 0.75 PIK3CD (0.45) LMNAMAPK1HTTSMN1; SMN2SYK

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-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed