SCHEMBL14313040

SCHEMBL14313040

O=C(Nn1ccc2c(F)cccc21)Oc1cnc(-c2ccccn2)nc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.50
▸ GCK P35557 1/20 0.36
▸ F2 P00734 3/20 0.35
▸ F10 P00742 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ TGFBR2 P37173 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ KAT6A Q92794 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ F12 P00748 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ KLKB1 P03952 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
SCHEMBL3216424 0.86 HPGDS (0.57) HPGDSF2F10NTRK1NPSR1
SCHEMBL14313273 0.86 HPGDS (0.58) HPGDSGCKMEN1KMT2A
SCHEMBL14312669 0.84 HPGDS (0.45) HPGDSF2TGFBR1KMT2AF12
SCHEMBL14312791 0.82 NR3C2 (0.36) HPGDS
SCHEMBL14313100 0.80 HPGDS (0.47) HPGDSF2F10KMT2AF12
SCHEMBL3213062 0.78 HPGDS (0.80) HPGDSF2F10NPSR1TGFBR1
SCHEMBL14312654 0.76 HPGDS (0.39) HPGDSF2KMT2AF12
SCHEMBL14313083 0.76 HPGDS (0.68) HPGDSF2F10NPSR1KMT2A
SCHEMBL14313213 0.74 KDM4A (0.42) HPGDSADORA2A
SCHEMBL14312771 0.71 GRIN2B (0.38) HPGDS

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-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 — — EP claimed
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