SCHEMBL7017436

SCHEMBL7017436

C[C@H](Nc1nccc(-n2cnc3cc(NCc4ccccc4)ccc32)n1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.71
JAK2 O60674 1/20 0.61
JAK3 P52333 1/20 0.61
MKNK1 Q9BUB5 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MKNK2 Q9HBH9 2/20 0.50
HTR7 P34969 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
SCHEMBL7594389 1.00 LCK (0.71) LCKJAK2JAK3MKNK1KDM4E
SCHEMBL7020378 0.92 LCK (0.63) LCKJAK2JAK3KDM4EMEN1
SCHEMBL7593220 0.92 LCK (0.63) LCKJAK2JAK3KDM4EMEN1
SCHEMBL7021145 0.91 LCK (0.61) LCKJAK2JAK3KDM4EALDH1A1
SCHEMBL7019330 0.90 LCK (0.63) LCKJAK2JAK3MKNK1KDM4E
SCHEMBL7020314 0.90 LCK (0.72) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7593856 0.90 LCK (0.72) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7016843 0.89 KIT (0.64) LCKJAK2JAK3KDM4EMEN1
SCHEMBL7590386 0.89 KIT (0.64) LCKJAK2JAK3KDM4EMEN1
SCHEMBL7018214 0.88 LCK (0.69) 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