SCHEMBL6973424

SCHEMBL6973424

COc1cc(Nc2ncc([N+](=O)[O-])c(-c3ccccc3)n2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 6/20 0.61
KDR P35968 4/20 0.60
PLK1 P53350 3/20 0.60
IGF1R P08069 3/20 0.60
PRKD3 O94806 2/20 0.60
PRKCG P05129 2/20 0.60
LCK P06239 2/20 0.60
PRKCD Q05655 2/20 0.60
CDK2 P24941 2/20 0.60
PLK3 Q9H4B4 2/20 0.60
JAK2 O60674 2/20 0.60
INSR P06213 2/20 0.60
ALK Q9UM73 2/20 0.60
GSK3B P49841 2/20 0.60
FLT1 P17948 2/20 0.60
FLT4 P35916 2/20 0.60
CDC7 O00311 1/20 0.60
PLK4 O00444 1/20 0.60
CHEK1 O14757 1/20 0.60
DCLK1 O15075 1/20 0.60

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
SCHEMBL6971554 0.84 MEN1 (0.62) PTK2KDRPLK1IGF1RPRKD3
SCHEMBL6981443 0.81 MEN1 (0.58) PTK2KDRPLK1IGF1RPRKD3
SCHEMBL6981393 0.79 MEN1 (0.59) PTK2KDRPLK1IGF1RPRKD3
SCHEMBL4031710 0.78 PTK2 (0.85) PTK2KDRPLK1IGF1RPRKD3
SCHEMBL6034114 0.78 KDR (0.70) PTK2KDRPLK1IGF1RPRKD3
Hydrochloric Acid SCHEMBL3814733 0.78 PTK2 (0.83) PTK2KDRPLK1IGF1RPRKD3
SCHEMBL4024606 0.76 PTK2 (0.85) PTK2KDRPLK1IGF1RPRKD3
SCHEMBL1040134 0.76 PTK2 (0.70) PTK2KDRPLK1IGF1RPRKD3
SCHEMBL13866468 0.76 PTK2 (0.85) PTK2KDRPLK1IGF1RPRKD3
SCHEMBL12529085 0.76 PTK2 (1.00) PTK2KDRIGF1RLCKJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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