SCHEMBL7018110

SCHEMBL7018110

C[C@H](Nc1nccc(-n2cnc3cc(NC(=O)C4CCCCC4)ccc32)n1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LCK P06239 17/20 0.62
IDH1 O75874 1/20 0.55
JAK2 O60674 1/20 0.54
JAK3 P52333 1/20 0.54
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 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
SCHEMBL7017410 0.99 LCK (0.63) LCKIDH1JAK2JAK3MKNK1
SCHEMBL7020076 0.93 LCK (0.61) LCKIDH1JAK2JAK3MKNK1
SCHEMBL7017272 0.91 LCK (0.58) LCKIDH1JAK2JAK3
SCHEMBL7590138 0.89 LCK (0.61) LCKJAK2JAK3
SCHEMBL7022077 0.89 LCK (0.61) LCKJAK2JAK3
SCHEMBL7018448 0.89 LCK (0.52) LCK
SCHEMBL7015949 0.88 LCK (0.58) LCKJAK2JAK3
SCHEMBL7028035 0.88 LCK (0.58) LCKJAK2JAK3
SCHEMBL7020607 0.87 LCK (0.59) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7024810 0.87 LCK (0.59) LCKJAK2JAK3

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