SCHEMBL4036802

SCHEMBL4036802

CC(C)(C)c1cc(Nc2nc(NCc3ccco3)ncc2Br)n[nH]1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 19/20 0.70
FGFR1 P11362 12/20 0.65
KDR P35968 12/20 0.65
INSR P06213 4/20 0.57
NTRK1 P04629 2/20 0.49
CDK2 P24941 1/20 0.49
NTRK2 Q16620 1/20 0.49

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
SCHEMBL4033146 0.84 IGF1R (0.70) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4036866 0.83 IGF1R (0.63) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL2123193 0.82 IGF1R (0.78) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL11341956 0.82 IGF1R (1.00) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL2120905 0.81 IGF1R (0.74) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL3870821 0.80 IGF1R (0.82) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4036210 0.80 IGF1R (0.63) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4032002 0.80 IGF1R (0.60) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4220586 0.79 IGF1R (0.80) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4038145 0.79 IGF1R (0.80) 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