SCHEMBL7501389

SCHEMBL7501389

Clc1nc(-n2cnc3ccccc32)ncc1Br

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.51
MKNK2 Q9HBH9 8/20 0.51
HTT P42858 1/20 0.46
RPS6KA5 O75582 2/20 0.46
FGFR1 P11362 2/20 0.46
PIK3CB P42338 1/20 0.45
POLB P06746 1/20 0.43
ROCK1 Q13464 1/20 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
SCHEMBL6760059 0.79 RPS6KA5 (0.56) MKNK1MKNK2HTTRPS6KA5FGFR1
SCHEMBL2899962 0.78 HTT (0.55) MKNK1MKNK2HTTFGFR1PIK3CB
SCHEMBL9025863 0.75 PIK3CB (0.68) MKNK1MKNK2HTTFGFR1PIK3CB
SCHEMBL6628644 0.73 LCK (0.57) MKNK1MKNK2HTTRPS6KA5FGFR1
SCHEMBL19350753 0.71 MKNK1 (0.59) MKNK1MKNK2HTTFGFR1PIK3CB
SCHEMBL2465676 0.70 MKNK2 (0.67) MKNK1MKNK2HTTRPS6KA5FGFR1
SCHEMBL24179153 0.70 FGFR1 (0.51) HTTFGFR1POLB
SCHEMBL5937 0.69 HTT (0.56) MKNK1MKNK2HTTFGFR1POLB
SCHEMBL22188457 0.69 HTT (0.56) MKNK1MKNK2HTTFGFR1POLB
SCHEMBL7211112 0.69 HTT (0.56) HTTFGFR1POLBROCK1

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-1194152-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-11-06 EP disclosed
EP-1194152-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-04-10 EP disclosed
US-6316444-B1 SRC kinase inhibitor compounds MERCK & CO., INC. 2001-11-13 US disclosed
WO-2001000214-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed