SCHEMBL14023344

SCHEMBL14023344

C=C(c1sc2ncn(CC(=O)N3CCCC(F)(F)C3)c(=O)c2c1C)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
MAPT P10636 3/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
RXFP1 Q9HBX9 1/20 0.47
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL263409 0.93 KMT2A (0.57) KMT2AMEN1MAPTTP53POLB
SCHEMBL264263 0.88 MEN1 (0.58) KMT2AMEN1MAPTTP53POLB
SCHEMBL264808 0.83 MEN1 (0.62) KMT2AMEN1MAPTTP53POLB
SCHEMBL264897 0.83 MEN1 (0.62) KMT2AMEN1MAPTTP53POLB
SCHEMBL264528 0.82 KMT2A (0.64) KMT2AMEN1MAPTTP53POLB
SCHEMBL264007 0.82 CYP3A4 (0.57) KMT2AMEN1MAPTTP53POLB
SCHEMBL14023510 0.80 KMT2A (0.67) KMT2AMEN1MAPTTP53POLB
SCHEMBL264431 0.78 MAPT (0.53) KMT2AMEN1MAPTPOLBRXFP1
SCHEMBL14023515 0.78 MEN1 (0.51) KMT2AMEN1MAPTTP53POLB
SCHEMBL268845 0.77 CYP3A4 (0.59) KMT2AMEN1MAPTTP53POLB

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-2008138126-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-20 WO disclosed