SCHEMBL7018638

SCHEMBL7018638

COc1ccccc1C(=O)Nc1ccc2c(c1)ncn2-c1ccnc(N[C@@H](C)c2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.65
JAK2 O60674 1/20 0.54
JAK3 P52333 1/20 0.54
ADRA2B P18089 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.47
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
BRPF1 P55201 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL7586650 0.94 LCK (0.59) LCKJAK2JAK3ADRA2BSMN1; SMN2
SCHEMBL7023777 0.94 LCK (0.59) LCKJAK2JAK3ADRA2BSMN1; SMN2
SCHEMBL7592146 0.93 LCK (0.63) LCKJAK2JAK3ADRA2BSMN1; SMN2
SCHEMBL7019259 0.93 LCK (0.63) LCKJAK2JAK3ADRA2BSMN1; SMN2
SCHEMBL7019607 0.92 LCK (0.59) LCKJAK2JAK3ADRA2BSMN1; SMN2
SCHEMBL7555341 0.92 LCK (0.59) LCKJAK2JAK3ADRA2BSMN1; SMN2
SCHEMBL7587154 0.92 LCK (0.61) LCKJAK2JAK3ADRA2BSMN1; SMN2
SCHEMBL7024412 0.92 LCK (0.61) LCKJAK2JAK3ADRA2BSMN1; SMN2
SCHEMBL7024987 0.89 LCK (0.68) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7025461 0.89 LCK (0.60) LCKJAK2JAK3ADRA2BMKNK1

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