SCHEMBL5777937

SCHEMBL5777937

CO/C(=C/C#N)SC.COc1cc(Nc2nc(Cl)ncc2Br)n[nH]1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 19/20 0.37
INSR P06213 1/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NTRK1 P04629 2/20 0.33

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
SCHEMBL5777940 1.00 IGF1R (0.37) IGF1RINSRFGFR1KDRMEN1
SCHEMBL217975 0.84 IGF1R (0.45) IGF1RINSRFGFR1KDRMEN1
SCHEMBL217676 0.73 JAK2 (0.42) IGF1RFGFR1KDRMEN1KMT2A
SCHEMBL218889 0.72 IGF1R (0.44) IGF1RINSRFGFR1KDRNTRK1
SCHEMBL219273 0.69 IGF1R (0.62) IGF1RINSRFGFR1KDRMEN1
SCHEMBL4033781 0.66 IGF1R (0.57) IGF1RINSRFGFR1KDRMEN1
SCHEMBL4040614 0.66 IGF1R (0.58) IGF1RINSRFGFR1KDRMEN1
SCHEMBL2120929 0.66 IGF1R (0.64) IGF1RINSRFGFR1KDRMEN1
SCHEMBL219241 0.65 PLK4 (0.43) IGF1RKDRMEN1KMT2A
SCHEMBL4034896 0.65 IGF1R (0.60) IGF1RINSRFGFR1KDRMEN1

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
EP-1686999-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2006-08-09 EP disclosed
WO-2005049033-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSYNE KINASES ASTRAZENECA AB (SE) 2005-06-02 WO disclosed