SCHEMBL20246136

SCHEMBL20246136

N=C(Nc1cccc(CN)c1)c1c(NC2CCCCC2)cc[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
ACKR3 P25106 9/20 0.39
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 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
SCHEMBL20246553 0.90 JAK1 (0.37) JAK2JAK1DDB1CRBN
SCHEMBL20246160 0.87 JAK2 (0.42) SMN1; SMN2JAK2JAK1ACKR3
SCHEMBL20246546 0.85 SMN1; SMN2 (0.35) SMN1; SMN2JAK2JAK1ACKR3
SCHEMBL20246288 0.84 JAK1 (0.45) SMN1; SMN2JAK2JAK1ACKR3
SCHEMBL20246362 0.84 SMN1; SMN2 (0.38) SMN1; SMN2JAK2JAK1ACKR3
SCHEMBL20246379 0.84 ACKR3 (0.47) JAK2JAK1ACKR3
SCHEMBL16623571 0.83 JAK1 (0.34) SMN1; SMN2JAK2JAK1
SCHEMBL20246137 0.83 JAK2 (0.48) SMN1; SMN2JAK2JAK1ACKR3
SCHEMBL20246134 0.83 SMN1; SMN2 (0.35) SMN1; SMN2ACKR3
SCHEMBL17849240 0.83 JAK1 (0.43) SMN1; SMN2JAK2JAK1

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-2976340-B1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-13 EP disclosed