SCHEMBL7019259

SCHEMBL7019259

COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)ncn2-c1ccnc(N[C@@H](C)c2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.63
JAK2 O60674 1/20 0.54
JAK3 P52333 1/20 0.54
ADRA2B P18089 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MKNK1 Q9BUB5 3/20 0.47
MKNK2 Q9HBH9 3/20 0.47

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
SCHEMBL7592146 1.00 LCK (0.63) LCKJAK2JAK3ADRA2BSMN1; SMN2
SCHEMBL7018638 0.93 LCK (0.65) LCKJAK2JAK3ADRA2BSMN1; SMN2
SCHEMBL7023777 0.91 LCK (0.59) LCKJAK2JAK3ADRA2BSMN1; SMN2
SCHEMBL7586650 0.91 LCK (0.59) LCKJAK2JAK3ADRA2BSMN1; SMN2
SCHEMBL7589949 0.90 LCK (0.60) LCKJAK2JAK3ADRA2BMKNK1
SCHEMBL7025461 0.90 LCK (0.60) LCKJAK2JAK3ADRA2BMKNK1
SCHEMBL7019607 0.88 LCK (0.59) LCKJAK2JAK3ADRA2BSMN1; SMN2
SCHEMBL7024412 0.88 LCK (0.61) LCKJAK2JAK3ADRA2BSMN1; SMN2
SCHEMBL7555341 0.88 LCK (0.59) LCKJAK2JAK3ADRA2BSMN1; SMN2
SCHEMBL7587154 0.88 LCK (0.61) LCKJAK2JAK3ADRA2BSMN1; SMN2

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 5 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
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