SCHEMBL31566301

SCHEMBL31566301

CC(C)c1ccccc1-c1nc(N)c(I)c2c1ncn2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.36
▸ DHFR P00374 1/20 0.35
▸ IKBKB O14920 5/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ PIP4K2C Q8TBX8 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ NUDT1 P36639 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ P2RX2 Q9UBL9 1/20 0.33
▸ FLT1 P17948 1/20 0.32
▸ KDR P35968 1/20 0.32

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
SCHEMBL31566298 0.85 ATR (0.35) ATRDHFRADORA2APIP4K2CLMNA
SCHEMBL31566317 0.83 ATR (0.36) ATRDHFRADORA2APIP4K2CLMNA
SCHEMBL31566299 0.76 DYRK1A (0.37) ATRDHFRPIP4K2CP2RX3P2RX2
SCHEMBL31566321 0.72 CDK1 (0.48) USP1CDK1ADORA1
SCHEMBL31566326 0.71 LMNA (0.38) PIP4K2CLMNAUSP1DPP4
SCHEMBL31566328 0.69 TSHR (0.41) PIP4K2CUSP1DPP4
SCHEMBL31566306 0.69 IKBKB (0.35) IKBKBPIP4K2CUSP1CHUKDPP4
SCHEMBL31566327 0.68 USP1 (0.34) PIP4K2CUSP1DPP4
SCHEMBL23364602 0.64 FBP1 (0.40) ATRDHFRLMNAALOX5APFEN1
SCHEMBL29932826 0.64 FBP1 (0.40) ATRDHFRLMNAALOX5APFEN1

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-2025096505-A1 UBIQUITIN SPECIFIC PROCESSING PROTEASE 1 (USP1) COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 — — WO disclosed
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