SCHEMBL30827872

SCHEMBL30827872

O=[N+]([O-])c1ccc(Nc2ncnc3sccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 7/20 0.64
PIP4K2C Q8TBX8 1/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
PIP4K2B P78356 1/20 0.60
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
EGFR P00533 3/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.53
FADS1 O60427 1/20 0.52
ALK Q9UM73 1/20 0.52
TTBK1 Q5TCY1 1/20 0.52
TTBK2 Q6IQ55 1/20 0.52

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
SCHEMBL23202879 0.79 HTT (0.68) MEN1KMT2ARAB9ANPC1
SCHEMBL16363310 0.79 KMT2A (0.73) PIP4K2APIP4K2CMEN1KMT2APIP4K2B
SCHEMBL30827844 0.78 PIP4K2C (0.64) PIP4K2CEGFRMAPTABCG2FADS1
SCHEMBL30827841 0.78 ADORA3 (0.52) PIP4K2APIP4K2CEGFRMAPTABCG2
SCHEMBL2376175 0.78 MEN1 (0.72) PIP4K2APIP4K2CMEN1KMT2APIP4K2B
SCHEMBL6923033 0.76 PIP4K2A (0.73) PIP4K2APIP4K2CMEN1KMT2APIP4K2B
SCHEMBL29116258 0.75 ABCG2 (0.74) MEN1KMT2ARAB9ANPC1EGFR
SCHEMBL8489469 0.74 HTT (0.46) PIP4K2APIP4K2CMEN1KMT2ARAB9A
SCHEMBL30827876 0.74 TTBK1 (0.86) EGFRTTBK1TTBK2
SCHEMBL29199888 0.74 TTBK1 (0.86) EGFRTTBK1TTBK2

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
CN-112204010-B Heterocyclic derivatives and uses thereof C&C新药研究所 2024-03-19 CN disclosed