SCHEMBL4462891

SCHEMBL4462891

CC(C)c1cc(Cc2c(N)nc(N)nc2N2CCN(S(C)(=O)=O)CC2)on1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.43
PIK3CA P42336 12/20 0.34
PIK3CB P42338 10/20 0.34
PIK3CD O00329 9/20 0.34
PIK3CG P48736 9/20 0.34
MTOR P42345 7/20 0.34
ABL1 P00519 2/20 0.33
BCR P11274 2/20 0.33
PIK3R1 P27986 7/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
BMPR1B O00238 1/20 0.31
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
EPHB6 O15197 1/20 0.31
STK10 O94804 1/20 0.31

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
SCHEMBL4457078 0.86 IGF1R (0.41) IGF1RABL1BCRBMPR1BPLK4
SCHEMBL4469769 0.84 NUDT1 (0.46) IGF1RPIK3CAMTORKDM4EMAPT
SCHEMBL4462898 0.84 KDM4E (0.39) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1790427 0.78 ALDH1A1 (0.36) IGF1RALDH1A1SMN1; SMN2LMNA
SCHEMBL4457341 0.69 SLC5A7 (0.44) IGF1RKDM4ESMN1; SMN2
SCHEMBL1791389 0.68 IGF1R (0.66) IGF1RABL1BCRBMPR1BPLK4
SCHEMBL4455656 0.68 IGF1R (0.42) IGF1RABL1BCRBMPR1BPLK4
SCHEMBL4463976 0.68 IGF1R (0.45) IGF1R
SCHEMBL4469774 0.67 NUDT1 (0.49) PIK3CAKDM4EALDH1A1MAPTHPGD
SCHEMBL4458392 0.64 DHFR (0.51)

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed