SCHEMBL7027375

SCHEMBL7027375

C[C@H](Nc1nccc(-n2cnc3cc(NC(=O)c4cccnc4)ccc32)n1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.63
JAK2 O60674 1/20 0.61
JAK3 P52333 1/20 0.61
IDH1 O75874 1/20 0.54
NAMPT P43490 1/20 0.54
MAPKAPK2 P49137 1/20 0.49
MKNK1 Q9BUB5 4/20 0.49
MKNK2 Q9HBH9 4/20 0.49
CSF1R P07333 1/20 0.47

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
SCHEMBL7022622 0.94 JAK2 (0.63) LCKJAK2JAK3IDH1NAMPT
SCHEMBL7014887 0.93 LCK (0.69) LCKJAK2JAK3IDH1MKNK1
SCHEMBL7022787 0.91 LCK (0.70) LCKJAK2JAK3IDH1MKNK1
SCHEMBL7600966 0.88 LCK (0.71) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7024476 0.88 LCK (0.71) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7022474 0.88 LCK (0.73) LCKJAK2JAK3IDH1MKNK1
SCHEMBL7593900 0.88 LCK (0.73) LCKJAK2JAK3IDH1MKNK1
SCHEMBL7023427 0.88 LCK (0.62) LCKJAK2JAK3IDH1MKNK1
SCHEMBL7023569 0.88 LCK (0.62) LCKJAK2JAK3IDH1MKNK1
SCHEMBL7676552 0.88 LCK (0.62) LCKJAK2JAK3IDH1MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP disclosed
US-6498165-B1 PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS MERCK & CO., INC. 2002-12-24 US disclosed
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed