SCHEMBL7001836

SCHEMBL7001836

COc1ccc2c(c1)-c1nc(Cl)ncc1CC2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HTT P42858 1/20 0.56
MPI P34949 1/20 0.51
FYN P06241 1/20 0.48
NPY5R Q15761 5/20 0.47
TP53 P04637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
IKBKB O14920 1/20 0.44
CYP19A1 P11511 3/20 0.43
CYP11B2 P19099 2/20 0.43
MAOA P21397 1/20 0.43
TYMS P04818 1/20 0.41
ACHE P22303 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
SCHEMBL1509510 0.89 KDM4E (0.71) MAPTKDM4EALDH1A1HTTTP53
SCHEMBL7000669 0.83 KDM4E (0.80) MAPTKDM4EALDH1A1HTTMPI
SCHEMBL1509479 0.83 ALDH1A1 (0.56) MAPTKDM4EALDH1A1HTTMPI
SCHEMBL6996696 0.80 FYN (0.48) MAPTKDM4EALDH1A1HTTMPI
SCHEMBL7238444 0.76 FYN (0.58) KDM4EALDH1A1FYNIKBKB
SCHEMBL7003524 0.76 FYN (0.60) MAPTKDM4EALDH1A1HTTFYN
SCHEMBL17560321 0.75 KDR (0.64) KDM4EALDH1A1FYNIKBKB
SCHEMBL6994864 0.74 KDR (0.63) KDM4EALDH1A1FYNIKBKB
SCHEMBL7249337 0.74 IKBKB (0.62) KDM4EALDH1A1FYNIKBKB
SCHEMBL4991439 0.73 KDM4E (0.65) MAPTKDM4EALDH1A1HTTIKBKB

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 8 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-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-6133257-A Fused polycyclic 2-aminopyrimidine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2000-10-17 US disclosed
US-6057329-A Fused polycyclic 2-aminopyrimidine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2000-05-02 US disclosed
EP-0989985-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-05 EP disclosed
EP-0946523-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-06 EP disclosed
WO-1998058926-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-12-30 WO disclosed
WO-1998028281-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-07-02 WO disclosed