SCHEMBL31049474

SCHEMBL31049474

NNC(=O)c1ncc2c(F)cc(SCc3ccccc3)cn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.38
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
HDAC3 O15379 1/20 0.35
NCOR1 O75376 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL31049368 0.88 CXCR2 (0.35) CXCR2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31258801 0.87 ALDH1A1 (0.38) CXCR2MEN1KMT2AHTTHDAC3
SCHEMBL31049390 0.86 CXCR2 (0.34) CXCR2MAPTSMN1; SMN2MEN1KMT2A
Lithium Ion SCHEMBL31049392 0.86 PTGDR2 (0.35) CXCR2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31258706 0.85 KMT2A (0.35) CXCR2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31024612 0.82 NPC1 (0.44) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL31024611 0.82 NPC1 (0.44) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL30713264 0.76 CA12 (0.40) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL31258705 0.75 MEN1 (0.34) CXCR2MEN1KMT2AMAPK1HDAC3
SCHEMBL30967347 0.74 ALDH1A1 (0.39) CXCR2MAPTSMN1; SMN2MAPK1LMNA

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