SCHEMBL6760059

SCHEMBL6760059

Clc1ncc(Br)c(-n2cnc3ccccc32)n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 4/20 0.56
MKNK1 Q9BUB5 12/20 0.53
MKNK2 Q9HBH9 12/20 0.53
RPS6KA4 O75676 1/20 0.51
HTT P42858 1/20 0.46
FGFR1 P11362 1/20 0.46
MAPK1 P28482 1/20 0.43

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
SCHEMBL16140386 0.86 RPS6KA5 (0.67) RPS6KA5MKNK1MKNK2RPS6KA4
SCHEMBL16140670 0.82 RPS6KA5 (0.67) RPS6KA5MKNK1MKNK2RPS6KA4HTT
SCHEMBL18803510 0.82 RPS6KA5 (0.67) RPS6KA5MKNK1MKNK2RPS6KA4HTT
SCHEMBL7501389 0.79 MKNK1 (0.51) RPS6KA5MKNK1MKNK2HTTFGFR1
SCHEMBL20479193 0.79 MKNK1 (0.58) RPS6KA5MKNK1MKNK2RPS6KA4HTT
SCHEMBL18787307 0.79 MKNK2 (0.57) RPS6KA5MKNK1MKNK2RPS6KA4HTT
Benzimidazole SCHEMBL6039612 0.75 RPS6KA5 (0.53) RPS6KA5MKNK1MKNK2RPS6KA4
SCHEMBL25764658 0.72 ALDH1A1 (0.58) RPS6KA5MKNK1MKNK2HTTFGFR1
SCHEMBL21554478 0.72 MKNK2 (0.72) MKNK1MKNK2
SCHEMBL6039615 0.71 ROCK1 (0.68) RPS6KA5MKNK1MKNK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564235-A1 SUBSTITUTED AROMATIC N-HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE INTERACTING KINASE 1 (MNK1) AND 2 (MNK2) Northwestern University (US) 2019-11-06 EP disclosed
US-6716831-B1 INHIBITION OF FOCAL ADHESION KINASE ASTRAZENECA AB (SE) 2004-04-06 US disclosed
EP-1161428-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-28 EP disclosed
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
EP-1161428-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-12-12 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
WO-2000053595-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-09-14 WO disclosed