SCHEMBL21372244

SCHEMBL21372244

CCS(=O)(=O)N(C)C1CCOC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.40
JAK3 P52333 3/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
PIK3CD O00329 2/20 0.36
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL21371766 0.89 JAK2 (0.42) JAK2JAK3JAK1TYK2USP2
SCHEMBL2326147 0.78 JAK2 (0.36) JAK2JAK3JAK1TYK2PIK3CD
SCHEMBL21564774 0.74 USP2 (0.50) JAK2JAK3JAK1TYK2USP2
SCHEMBL27282469 0.72 PIK3CD (0.42) PIK3CDMEN1NPC1RAB9AKMT2A
SCHEMBL15308457 0.72 PIK3CD (0.42) PIK3CDMEN1NPC1RAB9AKMT2A
SCHEMBL2625903 0.71 PIK3CD (0.43) PIK3CDMEN1NPC1RAB9AKMT2A
SCHEMBL12326039 0.71
SCHEMBL3957140 0.70 NPC1 (0.33) JAK2JAK3JAK1TYK2PIK3CD
SCHEMBL16264298 0.69 DRD3 (0.38) PIK3CD
SCHEMBL3436789 0.69

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-3180344-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES USEFUL FOR INHIBITING JANUS KINASE PFIZER (US) 2019-09-18 EP disclosed