SCHEMBL22736264

SCHEMBL22736264

O=C(NCCC(c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1)C(F)(F)F)C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GCG P01275 9/20 0.35
▸ JAK1 P23458 1/20 0.33
▸ JAK2 O60674 2/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ RET P07949 6/20 0.32
▸ GCGR P47871 1/20 0.32

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
SCHEMBL29480467 1.00 GCG (0.35) GCGJAK1JAK2CHRM4RET
SCHEMBL29568140 0.97 GCG (0.34) GCGJAK1JAK2RETGCGR
SCHEMBL22736257 0.97 GCG (0.34) GCGJAK1JAK2RETGCGR
SCHEMBL22736254 0.88 RIPK2 (0.34) GCGJAK2
SCHEMBL29480497 0.88 RIPK2 (0.34) GCGJAK2
SCHEMBL22736184 0.86 GCG (0.33) GCG
SCHEMBL29568184 0.86 GCG (0.34) GCGJAK1JAK2GCGR
SCHEMBL22716877 0.86 GCG (0.34) GCGJAK1JAK2GCGR
SCHEMBL22716870 0.85 JAK2 (0.31) GCGJAK2
SCHEMBL29480640 0.85 JAK2 (0.31) GCGJAK2

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-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO disclosed
Send feedback