SCHEMBL23459690

SCHEMBL23459690

N#Cc1cncc(-c2nc(NCCc3c[nH]c4ccccc34)c3ccoc3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.53
KMT2A Q03164 9/20 0.50
MEN1 O00255 8/20 0.50
USP2 O75604 7/20 0.50
CYP1A2 P05177 7/20 0.50
CYP3A4 P08684 7/20 0.50
CYP2D6 P10635 7/20 0.50
CYP2C9 P11712 7/20 0.50
CYP2C19 P33261 7/20 0.50
LMNA P02545 7/20 0.50
CLK4 Q9HAZ1 5/20 0.50
ALDH1A1 P00352 3/20 0.50
HIF1A Q16665 1/20 0.50
TSHR P16473 4/20 0.44
HSD17B10 Q99714 2/20 0.44
CDK2 P24941 1/20 0.43
MAPK1 P28482 6/20 0.43
MAPT P10636 4/20 0.43
ALOX5AP P20292 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL21996572 0.88 GBA1 (0.55) GBA1KMT2AMEN1USP2CYP1A2
SCHEMBL30162860 0.88 GBA1 (0.55) GBA1KMT2AMEN1USP2CYP1A2
SCHEMBL29840025 0.87 GBA1 (0.70) GBA1KMT2AMEN1USP2CYP1A2
SCHEMBL21996554 0.87 GBA1 (0.70) GBA1KMT2AMEN1USP2CYP1A2
SCHEMBL30867198 0.80 GBA1 (0.49) GBA1KMT2AMEN1USP2CYP1A2
SCHEMBL27319878 0.80 GBA1 (0.49) GBA1KMT2AMEN1USP2CYP1A2
SCHEMBL21753171 0.79 GBA1 (0.49) GBA1KMT2AMEN1USP2CYP1A2
SCHEMBL31297701 0.79 GBA1 (0.49) GBA1KMT2AMEN1USP2CYP1A2
SCHEMBL21996567 0.77 GBA1 (0.46) GBA1KMT2AMEN1USP2CYP1A2
SCHEMBL23459664 0.77 GBA1 (0.46) GBA1KMT2AMEN1USP2CYP1A2

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-2021113849-A1 HER2+ CANCER TREATMENT WITH POPULATIONS OF NATURAL KILLER CELLS COMPRISING A CLEAVAGE RESISTANT CD16 CELULARITY INC. (US) 2021-06-10 WO disclosed