SCHEMBL7018091

SCHEMBL7018091

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

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.60
JAK2 O60674 1/20 0.52
JAK3 P52333 1/20 0.52
MKNK1 Q9BUB5 3/20 0.46
MKNK2 Q9HBH9 3/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL7098592 0.91 LCK (0.63) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7098589 0.91 LCK (0.63) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7590286 0.90 LCK (0.64) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7023065 0.90 LCK (0.64) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7014644 0.90 LCK (0.61) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7022599 0.89 LCK (0.65) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021239 0.88 LCK (0.67) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7590129 0.87 LCK (0.68) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7589945 0.87 LCK (0.66) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7020828 0.87 LCK (0.68) LCKJAK2JAK3MKNK1MKNK2

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