SCHEMBL7239298

SCHEMBL7239298

COc1ccc2c(c1)-c1nc(Nc3ccc(OC)c(OCCN(C)C)c3)ncc1CC2(C)C

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.62
PLK1 P53350 14/20 0.47
KDR P35968 9/20 0.47
PDGFRB P09619 1/20 0.43
PLK3 Q9H4B4 1/20 0.43

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
SCHEMBL7242766 0.91 FYN (0.60) FYNPLK1KDR
Hydrochloric Acid SCHEMBL7233397 0.88 FYN (0.60) FYNPLK1KDR
Hydrochloric Acid SCHEMBL7232727 0.84 FYN (0.58) FYNPLK1KDR
SCHEMBL7241122 0.83 FYN (0.65) FYNPLK1KDRPDGFRB
Hydrochloric Acid SCHEMBL7240520 0.83 FYN (0.56) FYNPLK1KDRPDGFRB
SCHEMBL7240926 0.83 FYN (0.57) FYNPLK1KDR
Hydrochloric Acid SCHEMBL7240228 0.83 FYN (0.65) FYNPLK1KDR
Hydrochloric Acid SCHEMBL7232574 0.83 PLK1 (0.64) FYNPLK1KDR
SCHEMBL7230541 0.82 FYN (0.57) FYNPLK1KDRPDGFRBPLK3
SCHEMBL7234532 0.82 FYN (0.55) FYNPLK1KDR

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
US-6599908-B1 Potent and selective inhibitors of the protein tyrosine kinases p56lck and p59fyn CELLTECH R & D LIMITED (GB) 2003-07-29 US disclosed
US-6057329-A Fused polycyclic 2-aminopyrimidine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2000-05-02 US disclosed