SCHEMBL31049321

SCHEMBL31049321

Cc1nnc(-c2ncc3c(F)cc(SCc4ccccc4)cn23)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.39
HPGD P15428 5/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
BRD4 O60885 1/20 0.37
SCN9A Q15858 1/20 0.35
HSD17B10 Q99714 2/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TERT O14746 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL31049363 0.87 HDAC6 (0.43) EGFRHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL29267244 0.76 HDAC6 (0.42) HPGDNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL31049440 0.75 SCN9A (0.32) SCN9AKMT2AMEN1TERT
SCHEMBL31024612 0.72 NPC1 (0.44) HPGDNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL31024611 0.72 NPC1 (0.44) HPGDNPC1RAB9ASMN1; SMN2CYP1A2
Lithium Ion SCHEMBL31049392 0.71 PTGDR2 (0.35) RAB9ASMN1; SMN2CYP2C9MAPK1POLB
SCHEMBL31049474 0.70 CXCR2 (0.38) NPC1RAB9ASMN1; SMN2MAPK1POLB
SCHEMBL31537863 0.69 MAPT (0.42) EGFRHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL31049368 0.69 CXCR2 (0.35) HPGDNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL31049309 0.69 CA12 (0.33) L3MBTL1

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