SCHEMBL18599175

SCHEMBL18599175

C=C(c1ccccc1)c1cnn(-c2ccnc3c2ccn3CO)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALKBH2 Q6NS38 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
ALKBH1 Q13686 4/20 0.32
HPGDS O60760 1/20 0.32
KCNJ1 P48048 1/20 0.31
PRKCI P41743 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
SCHEMBL4097308 0.77 ALKBH2 (0.34) ALKBH2EGLN1ALKBH1HPGDS
SCHEMBL99235 0.74 PRKCI (0.58) PRKCI
SCHEMBL100600 0.71
Trifluoroacetic Acid SCHEMBL4097306 0.68 PRKCI (0.50) ALKBH2EGLN1PRKCI
SCHEMBL16692502 0.58
SCHEMBL24385169 0.58 HPGDS (0.55) ALKBH2HPGDS
SCHEMBL28567909 0.57 KMT2A (0.48)
Ethylene Glycol SCHEMBL2068360 0.57 MEN1 (0.52)
SCHEMBL8871343 0.56 CLK1 (0.48)
SCHEMBL3844822 0.56 MEN1 (0.61)

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-3184526-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2017-06-28 EP disclosed
EP-2348023-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed