SCHEMBL7025397

SCHEMBL7025397

CCN(c1ccccc1)c1nccc(-n2cnc3ccc(I)cc32)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 3/20 0.49
▸ LCK P06239 7/20 0.43
▸ ROCK1 Q13464 1/20 0.41
▸ MKNK1 Q9BUB5 5/20 0.41
▸ MKNK2 Q9HBH9 4/20 0.41
▸ MAPT P10636 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37

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
SCHEMBL7017821 0.88 LCK (0.56) MAP3K14LCKROCK1MKNK1MKNK2
SCHEMBL7567370 0.85 MAP3K14 (0.46) MAP3K14LCKROCK1MKNK1MKNK2
SCHEMBL7508933 0.81 LCK (0.56) MAP3K14LCKROCK1MKNK1MKNK2
SCHEMBL7497927 0.80 MAP3K14 (0.41) MAP3K14LCKROCK1MKNK1MKNK2
SCHEMBL7499093 0.75 MAP3K14 (0.37) MAP3K14LCKROCK1MKNK1MKNK2
SCHEMBL7658448 0.72 LCK (0.40) MAP3K14LCKROCK1MKNK1MKNK2
SCHEMBL7020372 0.71 LCK (0.80) LCKMKNK1MKNK2JAK2JAK3
SCHEMBL7025399 0.71 MKNK1 (0.68) LCKMKNK1MKNK2
SCHEMBL7018158 0.71 LCK (0.46) LCKMKNK1MKNK2MAPT
SCHEMBL7503109 0.69 MAPT (0.50) MAPTCRHBPCRHR2NPSR1

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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