SCHEMBL21746607

SCHEMBL21746607

CN/C=C(/Br)C(=N)c1ccnc(N(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PROKR1 Q8TCW9 16/20 0.33
▸ DYRK1A Q13627 3/20 0.33
▸ WNT1 P04628 2/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CSNK1E P49674 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
SCHEMBL15885952 0.81 UHRF1 (0.35) —
SCHEMBL21745947 0.80 MAP3K11 (0.35) —
SCHEMBL17247803 0.80 TAS1R3 (0.36) —
SCHEMBL17247804 0.76 WNT1 (0.40) DYRK1AWNT1GSK3B
SCHEMBL21746283 0.76 ALDH1A1 (0.34) —
SCHEMBL21746578 0.73 HCAR2 (0.39) —
SCHEMBL21746602 0.73 ACACB (0.35) —
SCHEMBL1727183 0.71 PROKR1 (0.38) PROKR1CSNK1E
SCHEMBL15885560 0.70 GSK3B (0.38) DYRK1AGSK3B
Hydrochloric Acid SCHEMBL28549220 0.69 PROKR1 (0.40) PROKR1

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-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 — — EP disclosed
Send feedback