SCHEMBL19659253

SCHEMBL19659253

NC(=O)c1nc2cccc(-c3ccccc3F)n2n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 1/20 0.50
▸ PARP1 P09874 2/20 0.43
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ NUDT1 P36639 3/20 0.41
▸ JAK1 P23458 4/20 0.40
▸ GRM2 Q14416 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ POLB P06746 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
SCHEMBL19658700 0.86 NUDT1 (0.38) EGLN2PARP1NUDT1JAK1TYK2
SCHEMBL19659252 0.85 KDM4E (0.37) EGLN2PARP1NUDT1JAK1GRM2
SCHEMBL13504386 0.80 NUDT1 (0.62) EGLN2NUDT1JAK1JAK3
SCHEMBL2730240 0.80 NUDT1 (0.62) EGLN2PARP1NUDT1JAK1JAK2
SCHEMBL23754207 0.79 JAK1 (0.51) EGLN2NPC1RAB9AJAK1TYK2
SCHEMBL22439076 0.76 KDM4E (0.43) PARP1RAB9ANUDT1
SCHEMBL28485655 0.73 AHR (0.47) PARP1NUDT1
SCHEMBL19659614 0.72 KDM4E (0.43) PARP1
SCHEMBL13031263 0.72 JAK1 (0.72) JAK1TYK2JAK2JAK3
SCHEMBL2145114 0.71 EGLN2 (0.49) EGLN2JAK1TYK2JAK2JAK3

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-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 — — WO disclosed
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