SCHEMBL18175838

SCHEMBL18175838

O=c1[nH]c2ccc(NC3=NCNC4=C3NCN4)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.46
▸ SYK P43405 1/20 0.43
▸ MKNK1 Q9BUB5 7/20 0.42
▸ PDE3B Q13370 2/20 0.39
▸ PDE3A Q14432 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ P2RX3 P56373 2/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.34

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
SCHEMBL15631561 0.75 KIF11 (0.41) KIF11SYKMKNK1PDE3BPDE3A
SCHEMBL15631562 0.70 SYK (0.38) KIF11SYKMKNK1PDE3BPDE3A
SCHEMBL10338441 0.70 PDE3B (0.60) KIF11SYKMKNK1PDE3BPDE3A
SCHEMBL15631642 0.70 MAPT (0.39) KIF11SYKMKNK1PDE3BPDE3A
SCHEMBL15631589 0.69 MKNK1 (0.39) KIF11SYKMKNK1P2RX3TP53
SCHEMBL15631569 0.69 SYK (0.37) KIF11SYKMKNK1PDE3BPDE3A
SCHEMBL15631580 0.65 IRAK4 (0.39) KIF11SYKMKNK1P2RX3MAPT
SCHEMBL15631556 0.65 MAPT (0.41) KIF11SYKMKNK1PDE3BPDE3A
SCHEMBL12361999 0.65 PDE3B (0.54) KIF11SYKMKNK1PDE3BPDE3A
SCHEMBL15631613 0.64 SYK (0.43) KIF11SYKMKNK1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897957-B1 SUBSTITUTED PYRROLOPYRIMIDINYLAMINO-BENZOTHIAZOLONES AS MKNK KINASE INHIBITORS Bayer Pharma AG (DE) 2016-10-26 — — EP disclosed
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