SCHEMBL30874239

SCHEMBL30874239

NC(=O)c1cnc(CN2CCOCC2)cn1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.62
CXCR4 P61073 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
HIF1A Q16665 2/20 0.43
EPAS1 Q99814 2/20 0.43
HTT P42858 1/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
SIRT6 Q8N6T7 1/20 0.41
GRM2 Q14416 1/20 0.41
CNR2 P34972 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1856562 0.91 HRH3 (0.62) HRH3CXCR4SMN1; SMN2HIF1AEPAS1
SCHEMBL1859625 0.83 HRH3 (0.60) HRH3CXCR4SMN1; SMN2HIF1AEPAS1
SCHEMBL5133060 0.82 HRH3 (0.48) HRH3KDM4ESIRT6GRM2
SCHEMBL3311748 0.81 HIF1A (0.60) HRH3SMN1; SMN2HIF1AEPAS1HTT
SCHEMBL27815604 0.79 HRH3 (0.61) HRH3CXCR4SMN1; SMN2HIF1AEPAS1
SCHEMBL15651024 0.78 CXCR4 (0.69) HRH3CXCR4SMN1; SMN2HTTKDM4E
SCHEMBL16840950 0.78 SMN1; SMN2 (0.51) HRH3CXCR4SMN1; SMN2HIF1AEPAS1
SCHEMBL1863041 0.77 HRH3 (1.00) HRH3
SCHEMBL11981676 0.76 CXCR4 (0.51) HRH3CXCR4SMN1; SMN2CYP2C9ALOX15
SCHEMBL5040368 0.75 KMO (0.51) HRH3SMN1; SMN2HTTKDM4EPOLB

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-113453764-B 7H-pyrrolo [2,3-d ] pyrimidin-4-amine derivatives 大鹏药品工业株式会社 2024-04-16 CN disclosed