SCHEMBL6998752

SCHEMBL6998752

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.58
FYN P06241 2/20 0.57
KDR P35968 12/20 0.55
PLK1 P53350 6/20 0.55
INSR P06213 1/20 0.48
PTK2 Q05397 1/20 0.48
AURKB Q96GD4 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 1/20 0.47
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCND2 P30279 1/20 0.46
CCND3 P30281 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
SCHEMBL6992464 0.92 KDR (0.65) IKBKBFYNKDRPLK1INSR
SCHEMBL6997904 0.89 FYN (0.61) IKBKBFYNKDRPLK1INSR
SCHEMBL17560349 0.88 IKBKB (0.59) IKBKBFYNKDRPLK1CA12
SCHEMBL6994864 0.87 KDR (0.63) IKBKBFYNKDRPLK1KDM4E
SCHEMBL7237418 0.86 FYN (0.65) IKBKBFYNKDRPLK1PTK2
Hydrochloric Acid SCHEMBL7240228 0.84 FYN (0.65) IKBKBFYNKDRPLK1INSR
SCHEMBL6999967 0.84 KDR (0.65) IKBKBFYNKDRPLK1KDM4E
SCHEMBL17560321 0.84 KDR (0.64) IKBKBFYNKDRPLK1KDM4E
SCHEMBL7249337 0.83 IKBKB (0.62) IKBKBFYNKDRPLK1INSR
Hydrochloric Acid SCHEMBL6991972 0.82 FYN (0.68) IKBKBFYNKDRPLK1KDM4E

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