SCHEMBL7676552

SCHEMBL7676552

CC(Nc1nccc(-n2cnc3cc(NC(=O)c4cccc(Br)c4)ccc32)n1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.62
JAK2 O60674 1/20 0.54
JAK3 P52333 1/20 0.54
MKNK1 Q9BUB5 3/20 0.47
MKNK2 Q9HBH9 3/20 0.47
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ALDH1A1 P00352 1/20 0.45
IDH1 O75874 1/20 0.45

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
SCHEMBL7023427 1.00 LCK (0.62) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7014887 0.92 LCK (0.69) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7024476 0.91 LCK (0.71) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7600966 0.91 LCK (0.71) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7023569 0.90 LCK (0.62) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7101235 0.89 LCK (0.60) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7101240 0.89 LCK (0.60) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021278 0.89 LCK (0.60) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7022787 0.88 LCK (0.70) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7027375 0.88 LCK (0.63) LCKJAK2JAK3MKNK1MKNK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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