SCHEMBL7016354

SCHEMBL7016354

CC[C@@]1(Nc2nccc(-n3cnc4ccc(Oc5ccc(NC=O)cc5)cc43)n2)C=CC=CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 11/20 0.35
▸ MKNK2 Q9HBH9 9/20 0.35
▸ NFKB1 P19838 2/20 0.35
▸ NR2C2 P49116 2/20 0.35
▸ NFKB2 Q00653 2/20 0.35
▸ RELA Q04206 2/20 0.35
▸ TAB1 Q15750 2/20 0.35
▸ MAP3K14 Q99558 1/20 0.34
▸ LCK P06239 4/20 0.34
▸ CDK2 P24941 1/20 0.33

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
SCHEMBL7020659 0.94 MKNK1 (0.35) MKNK1MKNK2NFKB1NR2C2NFKB2
SCHEMBL7017717 0.78 MAP3K14 (0.38) MKNK1MKNK2MAP3K14LCKCDK2
SCHEMBL7016351 0.76 MKNK1 (0.55) MKNK1MKNK2LCK
SCHEMBL7018022 0.75 LCK (0.43) MKNK1MKNK2MAP3K14LCKCDK2
SCHEMBL7018015 0.75 LCK (0.43) MKNK1MKNK2MAP3K14LCKCDK2
SCHEMBL7014852 0.74 LCK (0.64) MKNK1MKNK2LCK
SCHEMBL7592438 0.74 LCK (0.64) MKNK1MKNK2LCK
SCHEMBL7020602 0.73 MKNK1 (0.38) MKNK1MKNK2LCKCDK2
SCHEMBL7020656 0.69 MKNK1 (0.55) MKNK1MKNK2LCK
SCHEMBL7020406 0.68 LCK (0.64) MKNK1MKNK2LCK

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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