SCHEMBL25453077

SCHEMBL25453077

Nc1ccc(Nc2ccccn2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPK10 P53779 1/20 0.46
GFER P55789 1/20 0.46
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
TYK2 P29597 2/20 0.43
KDR P35968 1/20 0.43
POLA1 P09884 1/20 0.42
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
CDC25B P30305 1/20 0.41
CASP6 P55212 1/20 0.41
RCE1 Q9Y256 1/20 0.41
GRM4 Q14833 1/20 0.41
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
CTSC P53634 1/20 0.41

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
SCHEMBL30502751 1.00 MEN1 (0.48) MEN1KMT2ANPC1RAB9AMAPK10
SCHEMBL31220846 0.85 KMT2A (0.63) MEN1KMT2ANPC1RAB9AMAPK10
SCHEMBL7981759 0.85 KMT2A (0.63) MEN1KMT2ANPC1RAB9AMAPK10
SCHEMBL29408384 0.81 EGFR (0.52) MEN1KMT2ANPC1RAB9AMAPK10
SCHEMBL30502777 0.81 CYP3A4 (0.50) MEN1KMT2ANPC1RAB9AMAPK10
SCHEMBL25453078 0.81 CYP3A4 (0.50) MEN1KMT2ANPC1RAB9AMAPK10
SCHEMBL28415105 0.81 EGFR (0.52) MEN1KMT2ANPC1RAB9AMAPK10
SCHEMBL3038970 0.77 PIM1 (0.52) MEN1KMT2ANPC1RAB9AMAPK10
SCHEMBL11593134 0.76 CYP3A4 (0.54) POLA1
SCHEMBL3888498 0.75 MEN1 (0.55) MEN1KMT2AMAPK10GFER

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-2023081800-A1 ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-11 WO disclosed