SCHEMBL7003522

SCHEMBL7003522

COc1ccc2c(c1)-c1nc(Nc3ccc(N4CCNC(C)C4)cc3)ncc1CC2(C)C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.55
KDR P35968 8/20 0.47
PLK1 P53350 8/20 0.47
IGF1R P08069 1/20 0.44
INSR P06213 1/20 0.43
WEE1 P30291 1/20 0.42
IKBKB O14920 1/20 0.42
FGFR1 P11362 2/20 0.41
FGFR4 P22455 2/20 0.41
FGFR2 P21802 1/20 0.41
FGFR3 P22607 1/20 0.41
CDK1 P06493 3/20 0.40
CDK4 P11802 3/20 0.40
CCNA2 P20248 3/20 0.40
CCND3 P30281 3/20 0.40
CDK6 Q00534 3/20 0.40
AURKA O14965 1/20 0.40
CDK2 P24941 1/20 0.40
ZAP70 P43403 1/20 0.40

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
SCHEMBL6999593 0.87 FYN (0.55) FYNKDRPLK1IGF1RINSR
SCHEMBL6991975 0.86 FYN (0.62) FYNKDRPLK1IGF1RWEE1
SCHEMBL7231388 0.80 FYN (0.61) FYNKDRPLK1IGF1RINSR
SCHEMBL7232580 0.80 KDR (0.63) FYNKDRPLK1IGF1RINSR
SCHEMBL6999470 0.77 FYN (0.60) FYNKDRPLK1IGF1RINSR
SCHEMBL7235872 0.77 FYN (0.59) FYNKDRPLK1IGF1RINSR
SCHEMBL7233573 0.77 FYN (0.57) FYNKDRPLK1IGF1RINSR
SCHEMBL7241122 0.76 FYN (0.65) FYNKDRPLK1IGF1RINSR
Hydrochloric Acid SCHEMBL6997490 0.76 FYN (0.59) FYNKDRPLK1CDK1CDK4
Hydrochloric Acid SCHEMBL7234439 0.76 FYN (0.57) FYNKDRPLK1IGF1RINSR

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 2 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