SCHEMBL7017566

SCHEMBL7017566

Cc1ccc(-c2ccc3c(c2)ncn3-c2ccnc(N[C@@H](C)c3ccccc3)n2)nn1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.73
JAK2 O60674 1/20 0.59
JAK3 P52333 1/20 0.59
MKNK1 Q9BUB5 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
IDH1 O75874 2/20 0.42

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
SCHEMBL7014589 0.94 LCK (0.77) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7102584 0.90 LCK (0.72) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7019590 0.90 LCK (0.72) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7015311 0.89 LCK (0.71) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7019394 0.89 LCK (0.70) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021252 0.88 LCK (0.74) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7015494 0.87 LCK (0.78) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7020879 0.86 LCK (0.90) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021150 0.86 LCK (0.85) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7023829 0.85 LCK (0.84) 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 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