SCHEMBL7014522

SCHEMBL7014522

CSc1nccc(-n2cnc3ccc(C(=O)O)cc32)n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.54
MAP3K14 Q99558 5/20 0.43
HPGD P15428 2/20 0.43
LCK P06239 3/20 0.41
MKNK2 Q9HBH9 3/20 0.41
MKNK1 Q9BUB5 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HCAR3 P49019 1/20 0.40
THRB P10828 1/20 0.39
ROCK1 Q13464 1/20 0.38

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
SCHEMBL7027073 0.91 FGFR1 (0.54) FGFR1HPGDLCKMKNK2MKNK1
SCHEMBL7020443 0.91 FGFR1 (0.43) FGFR1MAP3K14LCKMKNK2MKNK1
SCHEMBL7020153 0.84 MAP3K14 (0.38) FGFR1MAP3K14LCKMKNK2MKNK1
SCHEMBL7020638 0.81 MKNK2 (0.52) LCKMKNK2MKNK1
SCHEMBL7024457 0.80 LCK (0.55) MAP3K14LCKROCK1
SCHEMBL7019998 0.80 FGFR1 (0.53) FGFR1MAP3K14HPGDLCKMKNK2
SCHEMBL7024738 0.77 ROCK1 (0.62) LCKMKNK2MKNK1ROCK1
SCHEMBL7494174 0.75 ROCK1 (0.44) FGFR1MAP3K14LCKMKNK2MKNK1
SCHEMBL7552289 0.75 NPC1 (0.56) HPGDLCKMKNK2MKNK1ALDH1A1
SCHEMBL7019537 0.75 FGFR1 (0.41) FGFR1HPGDLCKMKNK2MKNK1

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