SCHEMBL25517397

SCHEMBL25517397

CNc1ncnc(C2CC2)c1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.40
CSF1R P07333 1/20 0.40
YTHDC1 Q96MU7 3/20 0.39
YTHDF2 Q9Y5A9 1/20 0.37
PDPK1 O15530 1/20 0.34
IRAK4 Q9NWZ3 5/20 0.33
EGFR P00533 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
JAK3 P52333 1/20 0.32
USP1 O94782 1/20 0.31
CYP2D6 P10635 1/20 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
SCHEMBL25615714 0.81 CHRM4 (0.40) CHRM4
SCHEMBL23264081 0.77 CSF1R (0.37) CHRM4CSF1RYTHDC1YTHDF2PDPK1
SCHEMBL25466895 0.77 CSF1R (0.37) CHRM4CSF1RYTHDC1YTHDF2PDPK1
SCHEMBL14567010 0.76 YTHDC1 (0.48) CSF1RYTHDC1YTHDF2PDPK1EGFR
SCHEMBL23942854 0.75 CHRM4 (0.37) CHRM4
SCHEMBL25778227 0.73 CHRM4 (0.34) CHRM4CSF1RYTHDC1
SCHEMBL22143319 0.73 MEN1 (0.35) CHRM4PDPK1CYP1A2JAK3CYP2D6
SCHEMBL1661906 0.72 PDE10A (0.42) CHRM4
SCHEMBL18819275 0.70 GSK3B (0.47)
SCHEMBL14983681 0.70 YTHDC1 (0.44) CSF1RYTHDC1YTHDF2PDPK1EGFR

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-2023083285-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 WO disclosed