SCHEMBL2641685

SCHEMBL2641685

CCO[C@H]1CC[C@@H](c2ccc(Nc3nc(Nc4ccc(CP(=O)(O)O)cc4OC)ncc3C(F)(F)F)c3c2CN(C)C3=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 12/20 0.48
ALK Q9UM73 4/20 0.46
LRRK2 Q5S007 4/20 0.44

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
SCHEMBL2641691 1.00 PTK2 (0.48) PTK2ALKLRRK2
SCHEMBL14767942 1.00 PTK2 (0.48) PTK2ALKLRRK2
SCHEMBL15226744 0.94 PTK2 (0.47) PTK2ALKLRRK2
SCHEMBL15226750 0.94 PTK2 (0.47) PTK2ALKLRRK2
SCHEMBL15226870 0.94 PTK2 (0.48) PTK2ALKLRRK2
SCHEMBL2036291 0.94 PTK2 (0.48) PTK2ALKLRRK2
SCHEMBL2033944 0.94 PTK2 (0.48) PTK2ALKLRRK2
SCHEMBL15226868 0.94 PTK2 (0.48) PTK2ALKLRRK2
SCHEMBL14767937 0.93 PTK2 (0.49) PTK2ALKLRRK2
SCHEMBL2641694 0.93 PTK2 (0.49) PTK2ALKLRRK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
EP-2438056-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2012-04-11 EP disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed