SCHEMBL31706996

SCHEMBL31706996

Cc1nc(C(N)=O)c2n1CCNC2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ ACVR1 Q04771 1/20 0.30
▸ TGFBR1 P36897 1/20 0.30

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
SCHEMBL31700184 0.82 NPSR1 (0.39) HTR2AHTR2CMEN1KMT2A
Hydrochloric Acid SCHEMBL31700196 0.81 NPSR1 (0.38) HTR2AHTR2CMEN1KMT2A
SCHEMBL31707208 0.81 HTR2A (0.32) HTR2AHTR2C
SCHEMBL13867827 0.79 GAA (0.46) IKBKBHTR2AHTR2CMEN1KMT2A
SCHEMBL10025712 0.78 SCN9A (0.33) IKBKBHTR2AHTR2CTGFBR1
SCHEMBL13867988 0.76 IKBKB (0.43) IKBKBHTR2AHTR2C
SCHEMBL31023025 0.75 IKBKB (0.34) IKBKBHTR2AHTR2CACVR1TGFBR1
SCHEMBL15247934 0.71 GAA (0.50) IKBKBMEN1KMT2A
SCHEMBL14849195 0.70 HTR2A (0.40) HTR2AHTR2CACVR1TGFBR1
SCHEMBL31707291 0.70 — —

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-2025215579-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2025-10-16 — — WO disclosed
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