SCHEMBL14312928

SCHEMBL14312928

Cc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1ccc2c(=O)n(C)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.41
▸ TP53 P04637 2/20 0.35
▸ MET P08581 2/20 0.34
▸ MAPT P10636 3/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ HCRTR2 O43614 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CLK4 Q9HAZ1 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ WNT3A P56704 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31

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
SCHEMBL14312696 0.88 HPGDS (0.43) HPGDSMAPTCSNK1DHCRTR2WNT3A
SCHEMBL14313193 0.86 HPGDS (0.40) HPGDSTP53PSEN1PSEN2APH1B
SCHEMBL3220698 0.85 HPGDS (0.54) HPGDSTP53METCSNK1DALDH1A1
SCHEMBL14313255 0.84 HPGDS (0.42) HPGDSMETMAPTCSNK1DHCRTR2
SCHEMBL14312798 0.84 HPGDS (0.42) HPGDSMETMAPTCSNK1DHCRTR2
SCHEMBL14312563 0.82 HPGDS (0.41) HPGDSMAPTCSNK1DWNT3A
SCHEMBL14313134 0.82 HPGDS (0.41) HPGDSMETCSNK1DWNT3APDGFRB
SCHEMBL14313344 0.81 HPGDS (0.40) HPGDSMAPTCSNK1DHCRTR2WNT3A
SCHEMBL14313439 0.81 HPGDS (0.54) HPGDSMAPTCSNK1DHCRTR2WNT3A
SCHEMBL14312983 0.80 HPGDS (0.40) HPGDSTP53METMAPTHCRTR2

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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