SCHEMBL30006372

SCHEMBL30006372

COC(=O)c1cc2nc(C3CCC(COCc4ccccc4)CC3)sc2cc1NC(=O)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
POLB P06746 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 8/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRK1 P41145 3/20 0.38
PKM P14618 3/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTPN1 P18031 1/20 0.38
HTT P42858 2/20 0.37
GRM4 Q14833 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 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
SCHEMBL23536431 1.00 SMN1; SMN2 (0.41) SMN1; SMN2POLBLMNAMAPTNPC1
SCHEMBL23568017 1.00 SMN1; SMN2 (0.41) SMN1; SMN2POLBLMNAMAPTNPC1
SCHEMBL25726483 0.89 MAPT (0.45) SMN1; SMN2POLBLMNAMAPTNPC1
SCHEMBL25878447 0.89 MAPT (0.42) SMN1; SMN2POLBLMNAMAPTNPC1
SCHEMBL23568604 0.88 IRAK4 (0.41) SMN1; SMN2POLBLMNAALDH1A1NPSR1
SCHEMBL23539620 0.88 IRAK4 (0.41) SMN1; SMN2POLBLMNAALDH1A1NPSR1
SCHEMBL30409630 0.88 POLB (0.38) SMN1; SMN2POLBLMNAMAPTALDH1A1
SCHEMBL23568338 0.88 POLB (0.38) SMN1; SMN2POLBLMNAMAPTALDH1A1
SCHEMBL23539319 0.88 POLB (0.38) SMN1; SMN2POLBLMNAMAPTALDH1A1
SCHEMBL23536507 0.88 MAPT (0.45) SMN1; SMN2POLBLMNAMAPTNPC1

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
EP-4076524-A2 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-10-26 EP disclosed