SCHEMBL15529352

SCHEMBL15529352

O=C(CCC(F)(F)F)N1CC=C(c2cc[c]cc2-c2cccnc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 18/20 0.52
▸ JAK2 O60674 13/20 0.49
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL15529081 0.91 JAK1 (0.42) JAK1JAK2MEN1KMT2A
SCHEMBL20753927 0.78 JAK1 (0.56) JAK1JAK2
SCHEMBL15529320 0.77 — —
SCHEMBL15529128 0.77 ALDH1A1 (0.39) JAK1JAK2
SCHEMBL20744346 0.76 JAK1 (0.55) JAK1JAK2MEN1KMT2A
SCHEMBL15529321 0.76 ALDH1A1 (0.40) —
SCHEMBL20753934 0.75 JAK1 (0.63) JAK1JAK2
SCHEMBL22328951 0.72 JAK1 (0.54) JAK1JAK2MEN1KMT2A
SCHEMBL20754050 0.72 JAK1 (0.48) JAK1JAK2MEN1KMT2A
SCHEMBL16228166 0.71 NAMPT (0.53) JAK1JAK2

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-2852585-A1 NAMPT INHIBITORS AbbVie Inc. (US) 2015-04-01 — — EP claimed
WO-2013170113-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 — — WO claimed
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