SCHEMBL13898366

SCHEMBL13898366

Brc1cnc(Nc2ccc(CN3CCCC3)cc2)nc1NCCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.52
STK17A Q9UEE5 5/20 0.52
STK17B O94768 2/20 0.52
CDK1 P06493 4/20 0.51
KDR P35968 2/20 0.51
MARK3 P27448 1/20 0.49
MARK4 Q96L34 1/20 0.49
TBK1 Q9UHD2 2/20 0.48
CDK2 P24941 2/20 0.47
CCNB1 P14635 1/20 0.47
CCNE1 P24864 1/20 0.47
NUAK1 O60285 1/20 0.46
STK16 O75716 1/20 0.46
NTRK1 P04629 1/20 0.46
CSF1R P07333 1/20 0.46
CSNK2A2 P19784 1/20 0.46
TYK2 P29597 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
ULK3 Q6PHR2 1/20 0.46
BMP2K Q9NSY1 1/20 0.46

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
SCHEMBL13898463 0.94 IGF1R (0.54) IGF1RSTK17ASTK17BCDK1KDR
SCHEMBL13898422 0.88 NUAK1 (0.57) IGF1RCDK1KDRTBK1CDK2
SCHEMBL13898408 0.87 STK17A (0.54) IGF1RSTK17ASTK17BCDK1KDR
SCHEMBL13898290 0.86 IGF1R (0.57) IGF1RSTK17ASTK17BCDK1KDR
SCHEMBL13898376 0.85 IGF1R (0.53) IGF1RSTK17ASTK17BCDK1KDR
SCHEMBL13898374 0.85 IGF1R (0.58) IGF1RSTK17ASTK17BCDK1KDR
SCHEMBL13898407 0.85 IGF1R (0.49) IGF1RSTK17ASTK17BCDK1KDR
SCHEMBL13898357 0.84 STK17A (0.52) IGF1RSTK17ASTK17BCDK1KDR
SCHEMBL13898154 0.83 MARK3 (0.53) IGF1RSTK17ASTK17BCDK1KDR
SCHEMBL13898150 0.82 IGF1R (0.49) IGF1RSTK17ASTK17BCDK1KDR

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
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed