SCHEMBL6991674

SCHEMBL6991674

COc1ccc2c(c1)-c1nc(Nc3cc(OC)c(OC)c(OCCN4CCCC4)c3)ncc1CC2

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.57
TBK1 Q9UHD2 1/20 0.52
IGF1R P08069 15/20 0.52
KDR P35968 1/20 0.47

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
Hydrochloric Acid SCHEMBL6995021 0.94 FYN (0.60) FYNIGF1R
SCHEMBL7000248 0.91 FYN (0.60) FYNIGF1R
SCHEMBL6994890 0.91 FYN (0.60) FYNIGF1R
SCHEMBL6997980 0.88 FYN (0.73) FYNIGF1R
SCHEMBL6995009 0.88 FYN (0.57) FYNIGF1RKDR
SCHEMBL6999575 0.87 FYN (0.58) FYNTBK1IGF1RKDR
SCHEMBL7237418 0.87 FYN (0.65) FYNTBK1IGF1RKDR
SCHEMBL6999961 0.87 FYN (0.60) FYNIGF1RKDR
SCHEMBL6996576 0.84 IGF1R (0.55) FYNIGF1RKDR
Hydrochloric Acid SCHEMBL7000025 0.84 FYN (0.65) FYNIGF1R

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