SCHEMBL2523604

SCHEMBL2523604

CNc1ncc(N2CCC[C@H]2C(F)(F)F)c(-c2ccc(C#N)c(F)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 17/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
NSD2 O96028 1/20 0.36

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
SCHEMBL1318609 0.80 CYP11B2 (0.44) KDM1ACYP11B1CYP11B2
SCHEMBL1317272 0.71 ADORA1 (0.34) KDM1A
SCHEMBL1318233 0.71 CYP11B2 (0.45) KDM1ACYP11B1CYP11B2
SCHEMBL18151486 0.67 KDM1A (0.55) KDM1A
SCHEMBL1317860 0.67 ADORA1 (0.37) KDM1A
SCHEMBL2522497 0.66 KDM1A (0.44) KDM1ACYP11B1CYP11B2
SCHEMBL2451698 0.66 CCNC (0.40)
SCHEMBL1320953 0.65 KDM1A (0.52) KDM1ACYP11B1CYP11B2
SCHEMBL1319135 0.65 PDPK1 (0.53) KDM1A
SCHEMBL1319137 0.65 PDPK1 (0.53) KDM1A

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-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed