SCHEMBL2863762

SCHEMBL2863762

O=c1[nH]ccc2c(NCCc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.49
CHEK1 O14757 5/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL2871609 0.88 JAK2 (0.64) JAK2
SCHEMBL2865384 0.85 CCNC (0.48) JAK2CHEK1
SCHEMBL2862231 0.82 JAK2 (0.59) JAK2
SCHEMBL2871516 0.79 HTT (0.53) JAK2RXFP1
SCHEMBL2867156 0.78 JAK2 (0.77) JAK2
SCHEMBL3502725 0.78 JAK2 (0.44) JAK2
SCHEMBL3503289 0.78 JAK2 (0.44) JAK2
SCHEMBL3502356 0.78 JAK2 (0.44) JAK2
SCHEMBL2866967 0.78 JAK2 (0.56) JAK2
SCHEMBL2870458 0.75 JAK2 (0.70) JAK2

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-2200612-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-06-30 EP claimed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 WO claimed