SCHEMBL6992464

SCHEMBL6992464

COc1ccc2c(c1)-c1nc(Nc3ccc(OC)c(O)c3)ncc1CC2

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.65
PLK1 P53350 7/20 0.65
IKBKB O14920 2/20 0.58
FYN P06241 2/20 0.57
INSR P06213 1/20 0.57
PTK2 Q05397 1/20 0.57
AURKB Q96GD4 1/20 0.57
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL6998752 0.92 IKBKB (0.58) KDRPLK1IKBKBFYNINSR
SCHEMBL6997904 0.89 FYN (0.61) KDRPLK1IKBKBFYNINSR
SCHEMBL6994864 0.87 KDR (0.63) KDRPLK1IKBKBFYNCA12
SCHEMBL17560349 0.86 IKBKB (0.59) KDRPLK1IKBKBFYNCA12
Hydrochloric Acid SCHEMBL7232574 0.84 PLK1 (0.64) KDRPLK1IKBKBFYNINSR
SCHEMBL6999967 0.84 KDR (0.65) KDRPLK1IKBKBFYNKDM4E
SCHEMBL7237418 0.84 FYN (0.65) KDRPLK1IKBKBFYNPTK2
SCHEMBL17560321 0.84 KDR (0.64) KDRPLK1IKBKBFYNKDM4E
SCHEMBL7249337 0.83 IKBKB (0.62) KDRPLK1IKBKBFYNINSR
Hydrochloric Acid SCHEMBL6991972 0.82 FYN (0.68) KDRPLK1IKBKBFYNCA12

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