SCHEMBL30162860

SCHEMBL30162860

N#Cc1cncc(-c2nc(NCCc3c[nH]c4ccccc34)c3occc3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.55
KMT2A Q03164 11/20 0.52
CYP1A2 P05177 11/20 0.52
CYP3A4 P08684 11/20 0.52
CYP2D6 P10635 11/20 0.52
CYP2C19 P33261 11/20 0.52
MEN1 O00255 10/20 0.52
CYP2C9 P11712 10/20 0.52
USP2 O75604 10/20 0.52
LMNA P02545 9/20 0.52
CLK4 Q9HAZ1 8/20 0.52
ALDH1A1 P00352 4/20 0.52
HIF1A Q16665 2/20 0.52
TSHR P16473 6/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 1/20 0.45
SLC2A1 P11166 1/20 0.45
RAD52 P43351 1/20 0.45
MAPK1 P28482 6/20 0.44
MAPT P10636 4/20 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
SCHEMBL21996572 1.00 GBA1 (0.55) GBA1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL21996554 0.89 GBA1 (0.70) GBA1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL29840025 0.89 GBA1 (0.70) GBA1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL23459690 0.88 GBA1 (0.53) GBA1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL21996558 0.87 GBA1 (0.58) GBA1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL30162953 0.87 GBA1 (0.58) GBA1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL21996597 0.87 GBA1 (0.58) GBA1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL30162649 0.87 GBA1 (0.58) GBA1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL30867198 0.80 GBA1 (0.49) GBA1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL27319878 0.80 GBA1 (0.49) GBA1KMT2ACYP1A2CYP3A4CYP2D6

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
WO-2023010123-A1 PLACENTA-DERVIED NK CELLS AS A SENOLYTIC FOR THERAPEUTIC AND OTHER USES CELULARITY INC. (US) 2023-02-02 WO disclosed
WO-2023278628-A1 HUMAN PLACENTAL HEMATOPOIETIC STEM CELL DERIVED NATURAL KILLER CELLS IN ACUTE MYELOID LEUKEMIA (AML) REMISSION WITH MINIMAL RESIDUAL DISEASE (MRD) OR RELAPSED/REFRACTORY AML CELULARITY INC. (US) 2023-01-05 WO disclosed