SCHEMBL7016970

SCHEMBL7016970

CSc1nccc(-n2cnc3cnccc32)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.52
MKNK2 Q9HBH9 4/20 0.52
FGFR1 P11362 1/20 0.49
TGFBR1 P36897 2/20 0.43
ROCK1 Q13464 1/20 0.43
JAK2 O60674 2/20 0.42
JAK3 P52333 2/20 0.42
CDC7 O00311 2/20 0.42
CDK2 P24941 2/20 0.42
RPS6KA5 O75582 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LCK P06239 3/20 0.38
MAP3K14 Q99558 1/20 0.37

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
SCHEMBL7021439 0.89 JAK2 (0.53) MKNK1MKNK2TGFBR1ROCK1JAK2
SCHEMBL7024738 0.83 ROCK1 (0.62) MKNK1MKNK2ROCK1RPS6KA5LCK
SCHEMBL7498487 0.81 LCK (0.57) MKNK1MKNK2FGFR1ROCK1RPS6KA5
SCHEMBL5090493 0.80 CDC7 (0.65) MKNK2TGFBR1ROCK1CDC7CDK2
SCHEMBL7018051 0.78 LCK (0.55) FGFR1ROCK1CDC7CDK2RPS6KA5
SCHEMBL7494174 0.78 ROCK1 (0.44) MKNK1MKNK2FGFR1ROCK1CDK2
SCHEMBL7492144 0.76 ROCK1 (0.39) MKNK1MKNK2FGFR1ROCK1RPS6KA5
SCHEMBL7017856 0.76 MKNK1 (0.50) MKNK1MKNK2FGFR1TGFBR1ROCK1
SCHEMBL7024457 0.76 LCK (0.55) ROCK1LCKMAP3K14
SCHEMBL7027073 0.75 FGFR1 (0.54) MKNK1MKNK2FGFR1ALDH1A1LMNA

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