SCHEMBL7014785

SCHEMBL7014785

C[C@H](Nc1nccc(-n2cnc3cc(NCC4CCCN4)ccc32)n1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.48
IDH1 O75874 1/20 0.46
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
MAPK13 O15264 6/20 0.40
MAPK12 P53778 6/20 0.40
MAPK11 Q15759 6/20 0.40
MAPK14 Q16539 6/20 0.40
MAPK9 P45984 4/20 0.40
RAF1 P04049 2/20 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
SCHEMBL7593321 1.00 LCK (0.48) LCKIDH1JAK2JAK3MAPK13
SCHEMBL7014750 0.90 LCK (0.60) LCKJAK2JAK3
SCHEMBL7593440 0.90 LCK (0.60) LCKJAK2JAK3
SCHEMBL7018751 0.88 LCK (0.59) LCKJAK2JAK3
SCHEMBL7588177 0.88 LCK (0.59) LCKJAK2JAK3
SCHEMBL7021699 0.88 LCK (0.59) LCKJAK2JAK3
SCHEMBL7588732 0.86 LCK (0.64) LCKIDH1JAK2JAK3
SCHEMBL7017509 0.86 LCK (0.64) LCKIDH1JAK2JAK3
SCHEMBL7020107 0.84 LCK (0.60) LCKJAK2JAK3
SCHEMBL7589366 0.80 LCK (0.59) 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 10 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-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP claimed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP claimed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO 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
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed