SCHEMBL7017259

SCHEMBL7017259

C[C@H](Nc1nccc(-n2cnc3cnccc32)n1)c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.84
JAK3 P52333 3/20 0.84
LCK P06239 12/20 0.79
MKNK1 Q9BUB5 5/20 0.60
MKNK2 Q9HBH9 4/20 0.60

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
SCHEMBL7016274 0.91 JAK2 (1.00) JAK2JAK3LCKMKNK1MKNK2
SCHEMBL7022505 0.89 LCK (1.00) JAK2JAK3LCKMKNK1MKNK2
SCHEMBL7020339 0.89 LCK (1.00) JAK2JAK3LCKMKNK1MKNK2
SCHEMBL7024702 0.86 LCK (0.87) JAK2JAK3LCKMKNK1MKNK2
SCHEMBL7016983 0.86 LCK (0.87) JAK2JAK3LCKMKNK1MKNK2
SCHEMBL7014502 0.86 LCK (0.81) JAK2JAK3LCKMKNK1MKNK2
SCHEMBL7017465 0.85 LCK (0.89) JAK2JAK3LCKMKNK1MKNK2
SCHEMBL7016875 0.84 LCK (1.00) JAK2JAK3LCKMKNK1MKNK2
SCHEMBL7592779 0.84 LCK (1.00) JAK2JAK3LCKMKNK1MKNK2
SCHEMBL7015322 0.84 LCK (0.81) JAK2JAK3LCKMKNK1MKNK2

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 3 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 claimed
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