SCHEMBL7014492

SCHEMBL7014492

Cc1ccc2c(c1)ncn2-c1cc(-c2ccoc2)nc(N[C@@H](C)c2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.67
JAK2 O60674 6/20 0.53
JAK3 P52333 6/20 0.53
FGFR1 P11362 1/20 0.42
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38

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
SCHEMBL7021918 0.93 LCK (0.67) LCKJAK2JAK3
SCHEMBL7594120 0.93 LCK (0.67) LCKJAK2JAK3
SCHEMBL7100716 0.91 LCK (0.63) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7100712 0.91 LCK (0.63) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7015912 0.83 LCK (0.69) LCKJAK2JAK3FGFR1MKNK1
SCHEMBL7021040 0.82 LCK (0.64) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7504938 0.81 MKNK2 (0.47) LCKJAK2JAK3FGFR1MKNK1
SCHEMBL7015973 0.81 LCK (0.74) LCKJAK2JAK3FGFR1MKNK1
SCHEMBL7586078 0.81 LCK (0.74) LCKJAK2JAK3FGFR1MKNK1
SCHEMBL7015965 0.81 LCK (1.00) LCKJAK2JAK3FGFR1MKNK1

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