SCHEMBL860561

SCHEMBL860561

C=C(O[Si](C)(C)C)C1CCN(C(=O)OC(C)(C)C)C1.CC(C)NC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
USP30 Q70CQ3 4/20 0.39
TRPV3 Q8NET8 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3759130 0.92 HPGD (0.52) HPGDRECQLEPHX1KMT2AALDH1A1
SCHEMBL9933876 0.84 RECQL (0.56) HPGDRECQLEPHX1KMT2AMAPT
SCHEMBL26828253 0.75 HPGD (0.60) HPGDRECQLEPHX1KMT2AALDH1A1
SCHEMBL2146474 0.75 HPGD (0.57) HPGDRECQLEPHX1KMT2AALDH1A1
SCHEMBL15132685 0.74 KMT2A (0.55) HPGDRECQLEPHX1KMT2AALDH1A1
SCHEMBL17643942 0.74 HPGD (0.52) HPGDRECQLEPHX1KMT2AALDH1A1
SCHEMBL16488540 0.73 HPGD (0.55) HPGDRECQLEPHX1KMT2AALDH1A1
SCHEMBL16376307 0.73 HPGD (0.58) HPGDRECQLEPHX1KMT2AALDH1A1
SCHEMBL28263415 0.72 HPGD (0.64) HPGDRECQLEPHX1KMT2AALDH1A1
SCHEMBL25596826 0.72 MEN1 (0.61) HPGDRECQLEPHX1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432555-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2012-03-28 EP disclosed
WO-2010135650-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-11-25 WO disclosed