SCHEMBL7020876

SCHEMBL7020876

CS(=O)(=O)c1nccc(-n2cnc3cc(C(=O)O)ccc32)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.53
HPGD P15428 3/20 0.53
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.48
HCAR3 P49019 2/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXRA P19793 1/20 0.45
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.42
LCK P06239 2/20 0.41
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41

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
SCHEMBL7019998 0.91 FGFR1 (0.53) FGFR1HPGDALDH1A1LMNATHRB
SCHEMBL7022991 0.83 LCK (0.52) FGFR1HPGDALDH1A1GAALCK
SCHEMBL7027073 0.80 FGFR1 (0.54) FGFR1HPGDALDH1A1LMNATHRB
SCHEMBL7497256 0.79 LCK (0.55) THRBNPSR1LCKMKNK1MKNK2
SCHEMBL7022083 0.79 ROCK1 (0.59) LCKMKNK1MKNK2
SCHEMBL7020932 0.77 MKNK2 (0.51) LCKMKNK1MKNK2
SCHEMBL7017856 0.77 MKNK1 (0.50) FGFR1LCKMKNK1MKNK2
SCHEMBL7021521 0.76 NPC1 (0.41) HPGDALDH1A1LMNAHSD17B10LCK
SCHEMBL7017366 0.76 LCK (0.52) LCK
SCHEMBL30159063 0.74 FGFR1 (0.70) FGFR1HPGDALDH1A1LMNATHRB

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