SCHEMBL6971554

SCHEMBL6971554

COc1cnc(Nc2cc(OC)c(OC)c(OC)c2)nc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
CYP1A2 P05177 1/20 0.62
MAPT P10636 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
KMT2A Q03164 1/20 0.62
CDK2 P24941 1/20 0.58
PLK1 P53350 1/20 0.58
PLK3 Q9H4B4 1/20 0.58
PRKD3 O94806 1/20 0.58
PRKCG P05129 1/20 0.58
PRKCB P05771 1/20 0.58
LCK P06239 1/20 0.58
PRKCA P17252 1/20 0.58
PRKCH P24723 1/20 0.58
PRKCI P41743 1/20 0.58
ZAP70 P43403 1/20 0.58
PRKCE Q02156 1/20 0.58
PRKCQ Q04759 1/20 0.58
PRKCZ Q05513 1/20 0.58

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
SCHEMBL6981443 0.89 MEN1 (0.58) MEN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL6981393 0.87 MEN1 (0.59) MEN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL6034114 0.86 KDR (0.70) MEN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL6973424 0.84 PTK2 (0.61) MEN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL6967890 0.80 MAPT (0.56) MEN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL6974310 0.79 ZAP70 (0.80) CDK2PRKD3PRKCGPRKCBLCK
SCHEMBL6319664 0.77 IGF1R (0.53) MEN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL7241620 0.77 KDR (0.70) CDK2PLK1PTK2JAK2KDR
SCHEMBL8035912 0.77 KDR (0.70) PLK1PTK2JAK2INSRKDR
SCHEMBL17544503 0.76 PTK2 (0.76) CDK2PTK2ALKKDRIGF1R

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