SCHEMBL4038016

SCHEMBL4038016

CC(C)c1cc(Nc2nc(NCc3cccnc3)ncc2Cl)n[nH]1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.79
FGFR1 P11362 7/20 0.79
KDR P35968 5/20 0.79
BCL6 P41182 2/20 0.54
INSR P06213 1/20 0.51
NTRK1 P04629 3/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
AURKA O14965 2/20 0.43
PLK4 O00444 1/20 0.43
JAK2 O60674 1/20 0.43
STK10 O94804 1/20 0.43
PAK4 O96013 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
SCHEMBL4038423 0.88 IGF1R (1.00) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4034569 0.87 IGF1R (0.66) IGF1RFGFR1KDRBCL6INSR
SCHEMBL2122674 0.84 IGF1R (0.58) IGF1RFGFR1KDRBCL6INSR
SCHEMBL4037341 0.84 IGF1R (0.59) IGF1RFGFR1KDRNTRK1AURKA
SCHEMBL4031791 0.83 IGF1R (0.79) IGF1RFGFR1KDRBCL6INSR
SCHEMBL27522808 0.77 IGF1R (0.48) IGF1RFGFR1KDRNTRK1PRKAB2
SCHEMBL4033911 0.77 IGF1R (0.78) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4041620 0.75 NTRK1 (0.46) IGF1RFGFR1KDRNTRK1PRKAB2
SCHEMBL2123750 0.74 IGF1R (0.85) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4036281 0.73 IGF1R (0.85) IGF1RFGFR1KDRINSRNTRK1

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