SCHEMBL31599671

SCHEMBL31599671

Cn1cncc1CN1CCN(C(=O)OC(C)(C)C)C2(CC2)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPR P35270 5/20 0.36
GPR119 Q8TDV5 1/20 0.36
JAK3 P52333 2/20 0.36
RET P07949 1/20 0.35
OPRM1 P35372 1/20 0.34
CYP11B2 P19099 1/20 0.33
NR1H2 P55055 1/20 0.33
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
IRAK4 Q9NWZ3 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
SCHEMBL31599636 1.00 SPR (0.36) SPRGPR119JAK3RETOPRM1
SCHEMBL2732032 0.80 GPR119 (0.47) GPR119
SCHEMBL14085918 0.76 NPFFR1 (0.47)
SCHEMBL18291699 0.74 JAK3 (0.40) SPRGPR119JAK3RET
SCHEMBL31599783 0.70 USP2 (0.35) SPRJAK3OPRM1NR1H2GRIN2B
SCHEMBL18390217 0.70 JAK3 (0.38) SPRJAK3RETNR1H2GRIN2B
SCHEMBL30761069 0.69 HSD11B1 (0.38) SPRJAK3RETGRIN2BGRIN2C
SCHEMBL31713527 0.68 CYP3A4 (0.46) GPR119JAK3RETNR1H2
SCHEMBL23179862 0.68 KMT2A (0.38)
SCHEMBL12547430 0.68 CYP2D6 (0.53) JAK3

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-2025111251-A1 COMPOUNDS THAT INHIBIT POLO-LIKE KINASE 4 EXELIXIS, INC. (US) 2025-05-30 WO disclosed