SCHEMBL7002121

SCHEMBL7002121

COc1ccc2c(c1)-c1nc(Nc3cc(OC)c(OCCO)c(OC)c3)ncc1CC2

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.66
IKBKB O14920 2/20 0.50
KDR P35968 8/20 0.48
PLK1 P53350 6/20 0.44
IGF1R P08069 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BRAF P15056 2/20 0.43
AURKA O14965 2/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CCNA1 P78396 2/20 0.42

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
SCHEMBL7237418 0.89 FYN (0.65) FYNIKBKBKDRPLK1IGF1R
SCHEMBL7230375 0.89 FYN (0.51) FYNIKBKBKDRPLK1IGF1R
SCHEMBL6997904 0.87 FYN (0.61) FYNIKBKBKDRPLK1IGF1R
SCHEMBL7230505 0.86 FYN (0.49) FYNIKBKBKDRPLK1IGF1R
Hydrochloric Acid SCHEMBL6995021 0.86 FYN (0.60) FYNIGF1R
SCHEMBL6999575 0.84 FYN (0.58) FYNIKBKBKDRIGF1R
SCHEMBL7234843 0.83 FYN (0.58) FYNIKBKBKDRPLK1IGF1R
SCHEMBL6999591 0.83 FYN (0.59) FYNIKBKBKDRPLK1KDM4E
SCHEMBL6998752 0.82 IKBKB (0.58) FYNIKBKBKDRPLK1KDM4E
SCHEMBL6991674 0.81 FYN (0.57) FYNKDRIGF1R

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-0989985-B1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-11-05 EP disclosed
US-6133257-A Fused polycyclic 2-aminopyrimidine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2000-10-17 US disclosed
EP-0989985-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-05 EP disclosed
WO-1998058926-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-12-30 WO disclosed