SCHEMBL6965131

SCHEMBL6965131

COc1cc(Nc2nccc(Nc3ccc(CC(=O)O)cc3)n2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.62
FAM20C Q8IXL6 1/20 0.59
AURKA O14965 3/20 0.57
KDR P35968 2/20 0.56
EGFR P00533 1/20 0.56
INSR P06213 1/20 0.56
MET P08581 1/20 0.56
CDK2 P24941 1/20 0.56
TEK Q02763 1/20 0.56
BRD4 O60885 1/20 0.55
PLK1 P53350 1/20 0.52
PTK2 Q05397 1/20 0.52
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL6976523 0.88 IGF1R (0.58) IGF1RFAM20CKDREGFRINSR
SCHEMBL6978116 0.86 IGF1R (0.59) IGF1RFAM20CAURKAKDREGFR
SCHEMBL6981398 0.86 IGF1R (0.64) IGF1RFAM20CAURKAKDREGFR
SCHEMBL6979468 0.85 IGF1R (0.64) IGF1RFAM20CAURKAKDREGFR
SCHEMBL1116462 0.84 IGF1R (0.79) IGF1RFAM20CAURKAKDREGFR
SCHEMBL6967800 0.83 IGF1R (0.71) IGF1RFAM20CAURKAKDREGFR
SCHEMBL6981464 0.83 IGF1R (0.78) IGF1RFAM20CAURKAKDREGFR
SCHEMBL6980742 0.82 FAM20C (0.78) IGF1RFAM20CKDREGFRINSR
SCHEMBL31180291 0.81 IGF1R (0.71) IGF1RFAM20CAURKAKDREGFR
SCHEMBL6976835 0.81 IGF1R (0.78) IGF1RFAM20CAURKAKDREGFR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 EP disclosed
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US disclosed