SCHEMBL5489585

SCHEMBL5489585

Cc1cc2cc(NCc3cc(OCCc4ccccn4)nc(N4CCOCC4)n3)ccc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.43
SYK P43405 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
BRSK1 Q8TDC3 1/20 0.43
PIK3CA P42336 9/20 0.41
PIK3CB P42338 4/20 0.41
PIK3CG P48736 3/20 0.41
CSNK1D P48730 2/20 0.41
FES P07332 1/20 0.40
FER P16591 1/20 0.40
FRK P42685 1/20 0.40
CAMK1D Q8IU85 1/20 0.40
PIKFYVE Q9Y2I7 1/20 0.40
PIK3CD O00329 2/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL430095 0.81 PIK3CA (0.42) TYK2SYKIRAK4BRSK1PIK3CA
SCHEMBL1617193 0.73 TYK2 (0.53) TYK2SYKIRAK4BRSK1PIK3CA
SCHEMBL3109313 0.73 TYK2 (0.56) TYK2SYKIRAK4BRSK1PIK3CA
SCHEMBL5483800 0.72 PIK3CA (0.47) TYK2SYKIRAK4BRSK1PIK3CA
SCHEMBL426412 0.70 PIK3CA (0.45) TYK2SYKIRAK4BRSK1PIK3CA
SCHEMBL3117453 0.70 PIK3CA (0.52) TYK2SYKIRAK4BRSK1PIK3CA
SCHEMBL3109308 0.69 HTT (0.53) TYK2SYKIRAK4BRSK1PIK3CA
SCHEMBL428720 0.69 TYK2 (0.49) TYK2SYKIRAK4BRSK1PIK3CA
SCHEMBL427044 0.69 PIK3CA (0.44) TYK2SYKIRAK4BRSK1PIK3CA
SCHEMBL10196430 0.69 TYK2 (0.58) TYK2SYKIRAK4BRSK1PIK3CA

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-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO disclosed