SCHEMBL7278658

SCHEMBL7278658

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

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL9238889 0.83 KMT2A (0.34) KMT2AALDH1A1
SCHEMBL9238883 0.83 KMT2A (0.34) KMT2AALDH1A1
SCHEMBL7278738 0.74 KMT2A (0.35) KMT2AALDH1A1
SCHEMBL7278732 0.74 KMT2A (0.35) KMT2AALDH1A1
SCHEMBL9848597 0.72 KMT2A (0.38) KMT2AALDH1A1KDM4E
SCHEMBL9848598 0.72 KMT2A (0.38) KMT2AALDH1A1KDM4E
SCHEMBL7271334 0.68 KMT2A (0.32) KMT2AALDH1A1KDM4E
SCHEMBL8765130 0.66 MEN1 (0.40) KMT2AALDH1A1
SCHEMBL9848559 0.66 KMT2A (0.42) KMT2AALDH1A1KDM4E
SCHEMBL8765133 0.66 MEN1 (0.40) KMT2AALDH1A1

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