SCHEMBL7230541

SCHEMBL7230541

COc1ccc2c(c1)-c1nc(Nc3cccc(CCN(C)C)c3)ncc1CC2(C)C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.57
PLK1 P53350 9/20 0.49
KDR P35968 10/20 0.48
FGFR1 P11362 2/20 0.48
PDGFRB P09619 1/20 0.48
KIT P10721 1/20 0.48
FLT3 P36888 1/20 0.48
PLK3 Q9H4B4 1/20 0.48
CDK2 P24941 3/20 0.46
AURKA O14965 1/20 0.46
CCNA2 P20248 2/20 0.45
CCNA1 P78396 1/20 0.45
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
INSR P06213 1/20 0.41
CSF1R P07333 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR3 P22607 1/20 0.41
IGF1R P08069 1/20 0.41

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 SCHEMBL7232727 0.90 FYN (0.58) FYNPLK1KDRINSRIGF1R
SCHEMBL6992927 0.90 FYN (0.58) FYNPLK1KDRCDK2AURKA
Hydrochloric Acid SCHEMBL7238138 0.89 FYN (0.58) FYNPLK1KDRCDK2AURKA
SCHEMBL6997719 0.88 FYN (0.58) FYNPLK1KDRCDK2AURKA
SCHEMBL7242766 0.84 FYN (0.60) FYNPLK1KDRINSRIGF1R
Hydrochloric Acid SCHEMBL7002776 0.83 FYN (0.66) FYNPLK1KDRCDK2AURKA
SCHEMBL7239298 0.82 FYN (0.62) FYNPLK1KDRPDGFRBPLK3
Hydrochloric Acid SCHEMBL7000614 0.82 KDR (0.64) FYNPLK1KDRCDK2CCNA2
SCHEMBL7241107 0.82 FYN (0.51) FYNPLK1KDRFGFR1CDK2
SCHEMBL7000795 0.81 FYN (0.56) FYNPLK1KDRCDK2AURKA

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