SCHEMBL2053387

SCHEMBL2053387

Fc1cncc(-c2c(CCNc3ncnc4[nH]cnc34)ccc3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PIK3CD O00329 4/20 0.36
TAAR1 Q96RJ0 1/20 0.34
MAP4K4 O95819 3/20 0.34
PDPK1 O15530 1/20 0.34
RPS6KB1 P23443 1/20 0.34
AURKA O14965 1/20 0.34
IP6K1 Q92551 1/20 0.33
SLC29A1 Q99808 1/20 0.32
ADK P55263 1/20 0.32
GBA1 P04062 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
PIK3CG P48736 1/20 0.32

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) MAPK1HTTLMNASMN1; SMN2PIK3CD
SCHEMBL2015901 0.89 MAPK1 (0.48) MAPK1HTTLMNASMN1; SMN2MAPT
SCHEMBL2050742 0.88 PIK3CD (0.42) MAPK1HTTLMNASMN1; SMN2MAPT
SCHEMBL2052398 0.79 PIK3CD (0.44) MAPK1HTTLMNASMN1; SMN2MAPT
SCHEMBL2016187 0.78 PIK3CD (0.48) PIK3CDMAP4K4RPS6KB1AURKAPIK3CG
SCHEMBL2054366 0.78 LMNA (0.40) MAPK1HTTLMNASMN1; SMN2MAPT
SCHEMBL2013295 0.77 PIK3CD (0.53) MAPK1HTTLMNASMN1; SMN2PIK3CD
SCHEMBL2016100 0.77 MAP4K4 (0.40) MAPK1HTTLMNASMN1; SMN2MAPT
SCHEMBL2051140 0.75 PIK3CD (0.45) MAPK1HTTLMNASMN1; SMN2MAPT
SCHEMBL2015662 0.74 CYP11B1 (0.38) TAAR1CYP3A4

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