SCHEMBL7238367

SCHEMBL7238367

CCN(CC)CCOc1cccc(Nc2ncc3c(n2)-c2cc(OC)ccc2SC3)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.67
EGFR P00533 2/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
AGER Q15109 1/20 0.47
FGFR1 P11362 1/20 0.46
SRC P12931 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46
FGFR3 P22607 1/20 0.46
FYN P06241 1/20 0.46
PLK1 P53350 2/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45

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
SCHEMBL7241237 0.83 KDR (0.66) KDREGFRCA12CA1CA2
Hydrochloric Acid SCHEMBL8040264 0.82 FYN (0.53) KDRAGERFGFR1SRCFGFR2
SCHEMBL7241137 0.81 KDR (0.72) KDREGFRCA12CA1CA2
SCHEMBL11296690 0.81 KDR (1.00) KDREGFRCA12CA1CA2
SCHEMBL7238828 0.77 KDR (0.65) KDREGFRCA12CA1CA2
SCHEMBL7230996 0.75 FYN (0.68) KDRFYNPLK1CCNA2CDK2
SCHEMBL1735288 0.74 AGER (0.60) KDRAGERFGFR1SRCFGFR2
SCHEMBL17560321 0.73 KDR (0.64) KDREGFRFYNPLK1CCNA2
SCHEMBL13377532 0.73 SYK (0.53) KDREGFRAGERFGFR1SRC
SCHEMBL11297546 0.72 KDR (0.75) KDREGFRCA12CA1CA2

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