SCHEMBL3456047

SCHEMBL3456047

CS(=O)(=O)N1CCN(Cc2cccc(Nc3nccc(N)n3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.58
JAK3 P52333 8/20 0.58
CSF1R P07333 2/20 0.51
TYK2 P29597 2/20 0.51
TBK1 Q9UHD2 2/20 0.51
ULK2 Q8IYT8 1/20 0.51
PLK4 O00444 1/20 0.50
KDR P35968 1/20 0.50
PIK3CA P42336 3/20 0.48
MTOR P42345 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTK2 Q05397 4/20 0.45
SYK P43405 1/20 0.45
NUAK1 O60285 2/20 0.43
STK16 O75716 1/20 0.43
NTRK1 P04629 1/20 0.43
CSNK2A2 P19784 1/20 0.43
AAK1 Q2M2I8 1/20 0.43

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
SCHEMBL4874932 0.88 JAK2 (0.56) JAK2JAK3CSF1RTYK2TBK1
SCHEMBL3454379 0.82 AIMP2 (0.56) JAK2JAK3CSF1RTYK2TBK1
SCHEMBL14024424 0.79 JAK2 (0.51) JAK2JAK3CSF1RTYK2TBK1
SCHEMBL4779158 0.79 CSF1R (0.51) JAK2JAK3CSF1RTYK2TBK1
SCHEMBL14048207 0.76 KDR (0.65) JAK2JAK3KDRCYP3A4CYP2C9
SCHEMBL4297933 0.76 KDR (0.56) KDRPIK3CAMTORCYP3A4CYP2C9
SCHEMBL4732552 0.75 KDR (0.75) KDR
SCHEMBL14024633 0.75 KDR (0.45) JAK2JAK3CSF1RTYK2TBK1
SCHEMBL15888417 0.74 JAK2 (0.45) JAK2JAK3CSF1RTYK2TBK1
SCHEMBL14024705 0.74 KDR (0.65) JAK2JAK3KDRCYP3A4CYP2C9

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-2154967-A1 PYRIMIDINE DERIVATIVES Hutchison Medipharma Enterprises Limited (BS) 2010-02-24 EP disclosed
WO-2008128231-A1 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2008-10-23 WO disclosed