SCHEMBL7003524

SCHEMBL7003524

COc1ccc2c(c1)-c1nc(Nc3cc(Cl)c(O)c(Cl)c3)ncc1CC2

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.60
IKBKB O14920 2/20 0.54
KDR P35968 10/20 0.53
PLK1 P53350 7/20 0.53
EGFR P00533 1/20 0.51
IGF1R P08069 2/20 0.51
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL6998394 0.94 FYN (0.64) FYNIKBKBKDRPLK1EGFR
Hydrochloric Acid SCHEMBL6991972 0.87 FYN (0.68) FYNIKBKBKDRPLK1EGFR
SCHEMBL6994864 0.86 KDR (0.63) FYNIKBKBKDRPLK1EGFR
SCHEMBL7001153 0.85 FYN (0.56) FYNIKBKBKDRPLK1EGFR
SCHEMBL6997904 0.83 FYN (0.61) FYNIKBKBKDRPLK1IGF1R
SCHEMBL6999967 0.83 KDR (0.65) FYNIKBKBKDRPLK1IGF1R
SCHEMBL7238444 0.83 FYN (0.58) FYNIKBKBKDRPLK1EGFR
SCHEMBL7237418 0.83 FYN (0.65) FYNIKBKBKDRPLK1IGF1R
SCHEMBL17560321 0.82 KDR (0.64) FYNIKBKBKDRPLK1EGFR
SCHEMBL6992464 0.82 KDR (0.65) FYNIKBKBKDRPLK1KDM4E

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