SCHEMBL7019499

SCHEMBL7019499

COc1ccc(-c2ccc3c(c2)ncn3-c2ccnc(N[C@@H](C)c3ccccc3)n2)cc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.81
JAK2 O60674 1/20 0.61
JAK3 P52333 1/20 0.61
KDR P35968 1/20 0.56
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
IDH1 O75874 4/20 0.49

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
SCHEMBL7591622 0.93 LCK (0.75) LCKJAK2JAK3KDRMKNK1
SCHEMBL7019614 0.93 LCK (0.75) LCKJAK2JAK3KDRMKNK1
SCHEMBL7014066 0.92 LCK (0.76) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7020879 0.92 LCK (0.90) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021150 0.89 LCK (0.85) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7592779 0.89 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7016875 0.89 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7023205 0.89 LCK (0.84) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7590025 0.88 LCK (0.74) LCKJAK2JAK3KDRMKNK1
SCHEMBL7024206 0.88 LCK (0.74) LCKJAK2JAK3KDRMKNK1

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 4 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-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