SCHEMBL6996684

SCHEMBL6996684

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

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.69
KDR P35968 4/20 0.47
IGF1R P08069 9/20 0.47
PLK1 P53350 3/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
YES1 P07947 1/20 0.44
SRC P12931 1/20 0.44
AIMP2 Q13155 1/20 0.44
JAK2 O60674 1/20 0.43
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
JAK3 P52333 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 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
Hydrochloric Acid SCHEMBL6997962 0.99 FYN (0.68) FYNKDRIGF1RPLK1CCNA2
SCHEMBL7000795 0.88 FYN (0.56) FYNKDRPLK1CCNA2CDK2
SCHEMBL6996576 0.88 IGF1R (0.55) FYNKDRIGF1RPLK1CCNA2
Hydrochloric Acid SCHEMBL7090934 0.86 FYN (0.62) FYNKDRIGF1RPLK1SRC
Hydrochloric Acid SCHEMBL7002776 0.86 FYN (0.66) FYNKDRPLK1CCNA2CDK2
SCHEMBL7238195 0.86 FYN (0.56) FYNKDRIGF1RPLK1CCNA2
Hydrochloric Acid SCHEMBL8040264 0.84 FYN (0.53) FYNKDRPLK1CCNA2CDK2
SCHEMBL20485806 0.82 FYN (1.00) FYNKDRIGF1RPLK1
SCHEMBL30521660 0.82 FYN (1.00) FYNKDRIGF1RPLK1
Hydrochloric Acid SCHEMBL6997490 0.81 FYN (0.59) FYNKDRPLK1CCNA2CDK2

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 1 patent. 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 claimed