SCHEMBL4037995

SCHEMBL4037995

Cc1cc(Nc2ccnc(NC(C)c3ccccn3)n2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.54
IGF1R P08069 4/20 0.49
KDR P35968 4/20 0.49
FGFR1 P11362 3/20 0.49
AURKA O14965 3/20 0.48
AURKB Q96GD4 3/20 0.48
JAK2 O60674 2/20 0.48
JAK3 P52333 2/20 0.48
PAK1 Q13153 9/20 0.48
PAK3 O75914 8/20 0.48
PAK2 Q13177 8/20 0.48
NTRK1 P04629 2/20 0.48
EGFR P00533 1/20 0.47
INSR P06213 1/20 0.47
SRC P12931 1/20 0.47
FLT4 P35916 1/20 0.47

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
SCHEMBL3339415 0.82 IGF1R (0.66) IGF1RKDRFGFR1AURKAAURKB
SCHEMBL15071041 0.79 PAK1 (0.75) ITKIGF1RKDRFGFR1JAK2
SCHEMBL15209288 0.75 PAK1 (0.72) ITKIGF1RKDRFGFR1PAK1
SCHEMBL15208657 0.75 PAK1 (0.61) ITKIGF1RKDRFGFR1AURKA
SCHEMBL16534531 0.74 ITK (0.60) ITKIGF1RKDRFGFR1AURKA
SCHEMBL29683717 0.74 ITK (0.60) ITKIGF1RKDRFGFR1AURKA
SCHEMBL30230471 0.72 ITK (0.65) ITKIGF1RKDRFGFR1AURKA
SCHEMBL18154707 0.72 ITK (0.65) ITKIGF1RKDRFGFR1AURKA
SCHEMBL22535808 0.71 NTRK1 (0.55) IGF1RJAK2PAK1PAK3PAK2
SCHEMBL588686 0.71 JAK3 (0.68) IGF1RFGFR1AURKAAURKBJAK2

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
EP-1456182-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2009-03-11 EP disclosed