SCHEMBL16014657

SCHEMBL16014657

c1nc2c(Nc3ccc4[nH]ncc4c3)nc(C3CCC3)nc2s1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 8/20 0.64
▸ ROCK2 O75116 7/20 0.49
▸ ROCK1 Q13464 3/20 0.49
▸ ULK1 O75385 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ CDC7 O00311 1/20 0.42
▸ SYK P43405 1/20 0.42

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
SCHEMBL16014470 0.78 MKNK1 (1.00) MKNK1CDC7
SCHEMBL16013693 0.73 MKNK1 (1.00) MKNK1ROCK2ROCK1
SCHEMBL3582360 0.71 ROCK2 (0.64) MKNK1ROCK2ROCK1ULK1
SCHEMBL16013611 0.71 MKNK1 (1.00) MKNK1ROCK2ROCK1
SCHEMBL12964961 0.69 SYK (0.49) ULK1POLBSYK
SCHEMBL28439881 0.68 ROCK2 (0.59) ROCK2ROCK1SYK
SCHEMBL28449443 0.68 ROCK2 (0.59) MKNK1ROCK2ROCK1
SCHEMBL22201378 0.68 ROCK2 (0.62) MKNK1ROCK2ROCK1ULK1
SCHEMBL14320774 0.67 ROCK1 (0.47) MKNK1ROCK2ROCK1
SCHEMBL18056619 0.66 ROCK2 (1.00) MKNK1ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964656-A1 SUBSTITUTED THIAZOLOPYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2016-01-13 — — EP disclosed
WO-2014135480-A1 SUBSTITUTED THIAZOLOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-12 — — WO disclosed
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