SCHEMBL6128699

SCHEMBL6128699

C=C(OC)c1cnc2[nH]ccc2c1C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.45
AXL P30530 1/20 0.45
NUDT1 P36639 2/20 0.40
JAK1 P23458 11/20 0.37
JAK3 P52333 10/20 0.37
JAK2 O60674 9/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
RPS6KA3 P51812 1/20 0.35
TTBK1 Q5TCY1 1/20 0.35
TTBK2 Q6IQ55 1/20 0.35

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
SCHEMBL2632955 0.81 NUDT1 (0.50) PRKCIAXLNUDT1JAK1JAK3
SCHEMBL31403755 0.81 NUDT1 (0.50) PRKCIAXLNUDT1JAK1JAK3
SCHEMBL24319816 0.79 AXL (0.43) PRKCIAXLNUDT1JAK1JAK3
SCHEMBL1082037 0.78 AXL (0.47) PRKCIAXLNUDT1JAK1JAK3
SCHEMBL24495812 0.76 JAK2 (0.53) PRKCIAXLNUDT1JAK1JAK3
SCHEMBL18680897 0.73 AXL (0.50) PRKCIAXLJAK1JAK3JAK2
SCHEMBL21207663 0.73 NUDT1 (0.48) PRKCIAXLNUDT1JAK1JAK3
SCHEMBL8324165 0.72 PRKCI (0.67) PRKCIAXLNUDT1JAK1JAK3
SCHEMBL24630814 0.69 PRKCI (0.53) PRKCIAXLNUDT1JAK1JAK3
SCHEMBL16548436 0.69 PRKCI (0.53) PRKCIAXLNUDT1JAK1JAK3

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
WO-2012058645-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2012-05-03 WO disclosed