SCHEMBL7022351

SCHEMBL7022351

Cc1ccccc1-c1cc(-n2cnc3cc(-c4ccncc4)ccc32)nc(N[C@@H](C)c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.58
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
IDH1 O75874 2/20 0.39
MAPK13 O15264 6/20 0.39
MAPK12 P53778 6/20 0.39
MAPK11 Q15759 6/20 0.39
MAPK14 Q16539 6/20 0.39
MAPK9 P45984 1/20 0.38

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
SCHEMBL7021574 0.90 LCK (0.55) LCKJAK2JAK3IDH1MAPK13
SCHEMBL7019097 0.90 LCK (0.71) LCKJAK2JAK3
SCHEMBL7576852 0.90 LCK (0.71) LCKJAK2JAK3
SCHEMBL7588541 0.85 LCK (0.77) LCKJAK2JAK3IDH1MAPK13
SCHEMBL7018966 0.85 LCK (0.77) LCKJAK2JAK3IDH1MAPK13
SCHEMBL7013270 0.83 LCK (0.54) LCKJAK2JAK3
SCHEMBL7504892 0.83 MKNK2 (0.46) LCK
SCHEMBL7020793 0.79 LCK (0.67) LCKJAK2JAK3
SCHEMBL7571380 0.79 LCK (0.67) LCKJAK2JAK3
SCHEMBL7569631 0.78 LCK (0.55) LCKJAK2JAK3

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 4 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
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 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