SCHEMBL7019366

SCHEMBL7019366

CC(Nc1nccc(-n2cnc3ccccc32)n1)C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 1.00
MKNK1 Q9BUB5 6/20 0.60
MKNK2 Q9HBH9 5/20 0.60

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
SCHEMBL7019359 1.00 LCK (1.00) LCKMKNK1MKNK2
SCHEMBL7103389 0.89 LCK (0.79) LCKMKNK1MKNK2
SCHEMBL7973150 0.88 LCK (0.78) LCKMKNK1MKNK2
SCHEMBL7972985 0.86 LCK (0.75) LCKMKNK1MKNK2
SCHEMBL7024560 0.84 LCK (0.73) LCKMKNK1MKNK2
SCHEMBL7546235 0.84 LCK (1.00) LCK
SCHEMBL21554287 0.84 MKNK1 (0.79) LCKMKNK1MKNK2
SCHEMBL7986654 0.84 LCK (0.74) LCKMKNK1MKNK2
SCHEMBL7990610 0.83 LCK (0.74) LCKMKNK1MKNK2
SCHEMBL21554179 0.82 MKNK1 (0.80) LCKMKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329380-B1 PYRIMIDINE BENZIMIDIZAZOLE, PYRIMIDINEIMIDAZOLE OR PYRIDINE IMIDAZOLE COMPOUNDS FOR ANTICANCER AGENTS OR ATHEROSCLEROSIS MERCK & CO., INC. 2001-12-11 US claimed
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
US-6329380-B1 PYRIMIDINE BENZIMIDIZAZOLE, PYRIMIDINEIMIDAZOLE OR PYRIDINE IMIDAZOLE COMPOUNDS FOR ANTICANCER AGENTS OR ATHEROSCLEROSIS MERCK & CO., INC. 2001-12-11 US disclosed