SCHEMBL20075745

SCHEMBL20075745

Cc1nn(-c2cc(N)[nH]c3c(C)n(-c4ccc(C#N)cc4)nc3ccn2)c(C)c1C(=O)OCCl

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 13/20 0.44
PDE4D Q08499 3/20 0.43
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
P2RY12 Q9H244 1/20 0.37

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
SCHEMBL24114826 0.94 PDE4D (0.51) SLC34A1PDE4DP2RY12
SCHEMBL20075131 0.88 SLC34A1 (0.56) SLC34A1PDE4D
SCHEMBL20075346 0.82 SLC34A1 (0.54) SLC34A1
SCHEMBL24114841 0.82 SLC34A1 (0.42) SLC34A1
SCHEMBL20075631 0.80 SLC34A1 (0.56) SLC34A1
SCHEMBL20074888 0.79 SLC34A1 (0.52) SLC34A1
SCHEMBL20075367 0.77 SLC34A1 (0.58) SLC34A1
SCHEMBL20075744 0.76 SLC34A1 (0.76) SLC34A1
SCHEMBL24114890 0.73 SLC34A1 (0.61) SLC34A1
SCHEMBL20075582 0.73 SLC34A1 (0.59) SLC34A1

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
WO-2018069222-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-04-19 WO disclosed