SCHEMBL7018301

SCHEMBL7018301

C[C@H](Nc1nccc(-n2cnc3cc(-c4ccnc(Nc5ccccc5)n4)ccc32)n1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.79
JAK2 O60674 1/20 0.61
JAK3 P52333 1/20 0.61
CAMK2D Q13557 5/20 0.51
MKNK1 Q9BUB5 3/20 0.50
MKNK2 Q9HBH9 2/20 0.48

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
SCHEMBL7658943 0.92 LCK (0.77) LCKJAK2JAK3CAMK2DMKNK1
SCHEMBL7023829 0.91 LCK (0.84) LCKJAK2JAK3CAMK2DMKNK1
SCHEMBL7592510 0.91 LCK (0.84) LCKJAK2JAK3CAMK2DMKNK1
SCHEMBL7021042 0.89 LCK (0.79) LCKJAK2JAK3CAMK2DMKNK1
SCHEMBL7022093 0.88 LCK (0.77) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7594220 0.88 LCK (0.77) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7018359 0.88 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7591189 0.88 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021167 0.88 LCK (0.80) LCKJAK2JAK3CAMK2DMKNK1
SCHEMBL7592839 0.88 LCK (0.80) LCKJAK2JAK3CAMK2DMKNK1

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