SCHEMBL7018015

SCHEMBL7018015

CC[C@@]1(Nc2nccc(-n3cnc4cc(Cl)c(C)cc43)n2)C=CC=CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 9/20 0.43
▸ CDK2 P24941 1/20 0.38
▸ MKNK2 Q9HBH9 7/20 0.37
▸ MKNK1 Q9BUB5 7/20 0.37
▸ MAP3K14 Q99558 2/20 0.35

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
SCHEMBL7018022 0.96 LCK (0.43) LCKCDK2MKNK2MKNK1MAP3K14
SCHEMBL7020602 0.81 MKNK1 (0.38) LCKCDK2MKNK2MKNK1
SCHEMBL7017717 0.81 MAP3K14 (0.38) LCKCDK2MKNK2MKNK1MAP3K14
SCHEMBL7016354 0.75 MKNK1 (0.35) LCKCDK2MKNK2MKNK1MAP3K14
SCHEMBL7018014 0.72 MKNK2 (0.60) LCKMKNK2MKNK1
SCHEMBL7585859 0.69 LCK (0.84) LCKMKNK2MKNK1
SCHEMBL7018013 0.69 LCK (0.84) LCKMKNK2MKNK1
SCHEMBL7018020 0.69 MKNK2 (0.60) LCKMKNK2MKNK1
SCHEMBL7590066 0.66 LCK (0.84) LCKMKNK2MKNK1
SCHEMBL7018018 0.66 LCK (0.84) LCKMKNK2MKNK1

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 2 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
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