SCHEMBL4867487

SCHEMBL4867487

CC(C)N(CCOc1ccc(C(=O)Nc2n[nH]c3c2CN(S(=O)(=O)c2cc(F)cc(F)c2)CC3)c([AsH2])c1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.54
MET P08581 1/20 0.36
EP300 Q09472 3/20 0.34
CREBBP Q92793 3/20 0.34
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CCNA1 P78396 3/20 0.33
AURKA O14965 2/20 0.33
INSR P06213 2/20 0.33
ALK Q9UM73 2/20 0.33
NTRK1 P04629 3/20 0.33
PRKCB P05771 1/20 0.33
PAK4 O96013 1/20 0.33
HMOX1 P09601 1/20 0.33
MCHR1 Q99705 1/20 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
SCHEMBL14496599 0.93 IGF1R (0.55) IGF1RMETEP300CREBBPKIT
SCHEMBL1897920 0.92 IGF1R (0.53) IGF1RMETEP300CREBBPKIT
SCHEMBL12663058 0.90 IGF1R (0.51) IGF1RMETEP300CREBBPKIT
Hydrochloric Acid SCHEMBL1887428 0.89 IGF1R (0.50) IGF1RMETEP300CREBBPKIT
SCHEMBL1894241 0.87 IGF1R (0.49) IGF1RMETKITFLT3AURKA
SCHEMBL2677477 0.85 IGF1R (0.54) IGF1RMETEP300CREBBPKIT
SCHEMBL2677466 0.84 IGF1R (0.54) IGF1RMETEP300CREBBPKIT
SCHEMBL1887232 0.80 IGF1R (0.55) IGF1RMETKITFLT3CCNA2
SCHEMBL1886685 0.80 IGF1R (0.69) IGF1RMETEP300CREBBPKIT
SCHEMBL1891706 0.80 IGF1R (0.51) IGF1RMETKITFLT3AURKA

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-1968976-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-17 EP disclosed
WO-2007068619-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 WO disclosed