SCHEMBL20220336

SCHEMBL20220336

O=C(NS(=O)(=O)c1ccc(-n2cncn2)nc1)c1cnn2ccc(N3CCCC3)cc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHB3 P54753 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL19562723 0.85 EPHB3 (0.54) EPHB3KDM4EALDH1A1POLBGLA
SCHEMBL20220373 0.83 EPHB3 (0.46) EPHB3KDM4EALDH1A1POLBGLA
SCHEMBL16292809 0.83 NTRK1 (0.41) —
SCHEMBL15039643 0.83 NTRK1 (0.41) —
SCHEMBL15039748 0.81 NTRK1 (0.47) —
SCHEMBL16292726 0.81 NTRK1 (0.47) —
SCHEMBL20220366 0.78 EPHB3 (0.59) EPHB3KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL19562926 0.78 EPHB3 (0.55) EPHB3KDM4EALDH1A1GLAHTT
SCHEMBL20220418 0.77 EPHB3 (0.54) EPHB3KDM4EALDH1A1IRAK4CREBBP
SCHEMBL19562661 0.77 EPHB3 (0.55) EPHB3SMN1; SMN2IRAK4

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
EP-2791138-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS Dr Reddys Laboratories Ltd (IN) 2018-06-06 — — EP disclosed
Send feedback