SCHEMBL7017717

SCHEMBL7017717

CC[C@@]1(Nc2nccc(-n3cnc4ccc(C(F)(F)F)cc43)n2)C=CC=CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 1/20 0.38
▸ MKNK1 Q9BUB5 10/20 0.38
▸ MKNK2 Q9HBH9 9/20 0.38
▸ LCK P06239 6/20 0.38
▸ CDK2 P24941 2/20 0.36
▸ CDC7 O00311 1/20 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
SCHEMBL7020602 0.93 MKNK1 (0.38) MKNK1MKNK2LCKCDK2
SCHEMBL7018015 0.81 LCK (0.43) MAP3K14MKNK1MKNK2LCKCDK2
SCHEMBL7018022 0.81 LCK (0.43) MAP3K14MKNK1MKNK2LCKCDK2
SCHEMBL7016354 0.78 MKNK1 (0.35) MAP3K14MKNK1MKNK2LCKCDK2
SCHEMBL7020659 0.73 MKNK1 (0.35) MKNK1MKNK2LCKCDK2
SCHEMBL7017711 0.72 MKNK2 (0.63) MKNK1MKNK2LCK
SCHEMBL7017709 0.70 LCK (0.74) MKNK1MKNK2LCK
SCHEMBL7567370 0.68 MAP3K14 (0.46) MAP3K14MKNK1MKNK2LCKCDK2
SCHEMBL7020600 0.64 MKNK2 (0.63) MKNK1MKNK2LCK
SCHEMBL7016932 0.64 LCK (0.72) MKNK1MKNK2LCKCDK2

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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