SCHEMBL31566298

SCHEMBL31566298

CCc1c(N)nc(-c2ccccc2C(C)C)c2ncn(C)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.35
▸ DPP4 P27487 9/20 0.34
▸ DPP8 Q6V1X1 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ NUDT1 P36639 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ DHFR P00374 1/20 0.34
▸ PIP4K2C Q8TBX8 1/20 0.34
▸ USP1 O94782 4/20 0.33
▸ WDR48 Q8TAF3 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL31566301 0.85 ATR (0.36) ATRDPP4DPP8LMNAPOLB
SCHEMBL31566317 0.84 ATR (0.36) ATRLMNAPOLBHRH2ADRA1D
SCHEMBL31566299 0.74 DYRK1A (0.37) ATRDPP4DHFRPIP4K2CUSP1
SCHEMBL31566321 0.70 CDK1 (0.48) USP1
SCHEMBL31566326 0.69 LMNA (0.38) DPP4LMNAPIP4K2CUSP1
SCHEMBL31566328 0.68 TSHR (0.41) DPP4PIP4K2CUSP1KDM4EALDH1A1
SCHEMBL31566306 0.68 IKBKB (0.35) DPP4PIP4K2CUSP1WDR48
SCHEMBL31566327 0.67 USP1 (0.34) DPP4PIP4K2CUSP1
SCHEMBL6124114 0.62 IKBKB (0.33) LMNAPOLBADORA2APDE4DKDM4E
SCHEMBL28330246 0.60 P2RX3 (0.59) ATRDHFRP2RX3P2RX2

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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