SCHEMBL31049459

SCHEMBL31049459

CN(C)/C=N/c1ncc(Br)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HBB P68871 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX15 P16050 2/20 0.34
RECQL P46063 2/20 0.34
KDM4E B2RXH2 6/20 0.33
GLA P06280 2/20 0.33
LMNA P02545 1/20 0.33
PLAU P00749 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL2401906 0.81 L3MBTL1 (0.38) ALDH1A1RAB9ANPC1KMT2AL3MBTL1
SCHEMBL12267661 0.81 L3MBTL1 (0.38) ALDH1A1RAB9ANPC1KMT2AL3MBTL1
SCHEMBL22271023 0.80 PLAU (0.50) ALDH1A1RAB9ANPC1KMT2AL3MBTL1
SCHEMBL19760999 0.80 L3MBTL1 (0.36) ALDH1A1RAB9ANPC1KMT2AL3MBTL1
SCHEMBL30450482 0.80 L3MBTL1 (0.36) ALDH1A1RAB9ANPC1KMT2AL3MBTL1
SCHEMBL31200216 0.72 PLAU (0.38) PLAU
SCHEMBL26664362 0.72 PLAU (0.38) PLAU
SCHEMBL16897366 0.72 OPRK1 (0.43)
SCHEMBL16897365 0.72 OPRK1 (0.43)
SCHEMBL24007348 0.71 PLAU (0.38) RAB9AKMT2AHTTMAPTMEN1

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-2024173453-A1 HETEROARYL-SUBSTITUTED IMIDAZOPYRIDINE COMPOUNDS IDEAYA BIOSCIENCES, INC. (US) 2024-08-22 WO disclosed