SCHEMBL7014906

SCHEMBL7014906

COC(=O)c1ccc2c(c1)ncn2-c1ccnc(N[C@@H](C)c2ccccc2)n1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.71
JAK2 O60674 1/20 0.61
JAK3 P52333 1/20 0.61
FGFR1 P11362 1/20 0.58
MKNK1 Q9BUB5 3/20 0.52
MKNK2 Q9HBH9 3/20 0.52
CAMK2D Q13557 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 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
SCHEMBL7589531 1.00 LCK (0.71) LCKJAK2JAK3FGFR1MKNK1
SCHEMBL7015923 0.93 LCK (0.71) LCKJAK2JAK3FGFR1MKNK1
SCHEMBL7014679 0.91 LCK (0.74) LCKJAK2JAK3FGFR1MKNK1
SCHEMBL7020581 0.90 LCK (0.73) LCKJAK2JAK3FGFR1MKNK1
SCHEMBL7018074 0.88 LCK (0.65) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7019928 0.88 LCK (0.72) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7024214 0.88 LCK (0.70) LCKJAK2JAK3FGFR1MKNK1
SCHEMBL7021617 0.86 LCK (0.70) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7023052 0.85 LCK (0.80) LCKJAK2JAK3FGFR1MKNK1
SCHEMBL7022463 0.84 LCK (0.62) 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 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