SCHEMBL7278738

SCHEMBL7278738

COC=C(C#N)c1cc(Cl)c(N=CN(C)C)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7278732 1.00 KMT2A (0.35) KMT2AL3MBTL1MAPTNPSR1TSHR
SCHEMBL9238883 0.77 KMT2A (0.34) KMT2AL3MBTL1MAPTNPSR1TSHR
SCHEMBL9238889 0.77 KMT2A (0.34) KMT2AL3MBTL1MAPTNPSR1TSHR
SCHEMBL9848597 0.77 KMT2A (0.38) KMT2AL3MBTL1MAPTNPSR1TSHR
SCHEMBL9848598 0.77 KMT2A (0.38) KMT2AL3MBTL1MAPTNPSR1TSHR
SCHEMBL9848559 0.70 KMT2A (0.42) KMT2AL3MBTL1MAPTNPSR1TSHR
SCHEMBL9848563 0.70 KMT2A (0.42) KMT2AL3MBTL1MAPTNPSR1TSHR
SCHEMBL7273016 0.68 KMT2A (0.40) KMT2AL3MBTL1MAPTNPSR1MAPK1
SCHEMBL7273008 0.68 KMT2A (0.40) KMT2AL3MBTL1MAPTNPSR1MAPK1
SCHEMBL11133814 0.66 KMT2A (0.47) KMT2AL3MBTL1MAPTNPSR1TSHR

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-0679645-A1 Pharmacologically active CNS pyridmidin compounds THE WELLCOME FOUNDATION LIMITED (GB) 1995-11-02 EP disclosed
EP-0459819-A2 Pharmacologically active CNS compound THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-04 EP disclosed