SCHEMBL6996576

SCHEMBL6996576

COc1ccc2c(c1)-c1nc(Nc3cccc(OCCN4CCCC4)c3)ncc1CC2

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 13/20 0.55
FYN P06241 2/20 0.54
CCNA2 P20248 2/20 0.52
CDK2 P24941 2/20 0.52
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
KDR P35968 2/20 0.51
AURKA O14965 1/20 0.51
PLK1 P53350 1/20 0.51
CCNA1 P78396 1/20 0.51
AXL P30530 1/20 0.50

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
SCHEMBL7001192 0.92 SYK (0.54) IGF1RFYNCCNA2CDK2CDK5
SCHEMBL6995009 0.91 FYN (0.57) IGF1RFYNKDRAXL
SCHEMBL6996684 0.88 FYN (0.69) IGF1RFYNCCNA2CDK2CDK5
SCHEMBL6994890 0.87 FYN (0.60) IGF1RFYNAXL
SCHEMBL7000248 0.87 FYN (0.60) IGF1RFYNAXL
SCHEMBL17560321 0.87 KDR (0.64) IGF1RFYNCCNA2CDK2CDK5
Hydrochloric Acid SCHEMBL6997962 0.87 FYN (0.68) IGF1RFYNCCNA2CDK2CDK5
SCHEMBL6997980 0.86 FYN (0.73) IGF1RFYNAXL
Hydrochloric Acid SCHEMBL6995021 0.85 FYN (0.60) IGF1RFYN
SCHEMBL6999961 0.85 FYN (0.60) IGF1RFYNKDRAXL

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