SCHEMBL14313359

SCHEMBL14313359

CCc1cn(NC(=O)Oc2cnc(-c3cccc(F)c3)nc2C)c2cnccc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.40
▸ DGAT2 Q96PD7 5/20 0.36
▸ ROCK2 O75116 3/20 0.36
▸ GRIN2B Q13224 2/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2B P67870 1/20 0.35
▸ WNT3A P56704 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ PIP4K2A P48426 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GRM5 P41594 1/20 0.33

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
SCHEMBL14313343 0.91 HPGDS (0.44) HPGDSDGAT2ROCK2GRIN2BGRIN1
SCHEMBL14313160 0.89 HPGDS (0.39) HPGDSDGAT2ROCK2CSNK2A2CSNK2B
SCHEMBL14312840 0.86 HPGDS (0.38) HPGDSDGAT2ROCK2GRIN2BGRIN1
SCHEMBL14312955 0.86 HPGDS (0.42) HPGDSCSNK1DWNT3AMAPTLMNA
SCHEMBL14313171 0.86 HPGDS (0.46) HPGDSDGAT2ROCK2GRIN2BGRIN1
SCHEMBL12083974 0.86 HPGDS (0.51) HPGDSDGAT2ROCK2GRIN2BGRIN1
SCHEMBL14312398 0.85 HPGDS (0.38) HPGDSGRIN2BGRIN1CSNK1D
SCHEMBL14312563 0.84 HPGDS (0.41) HPGDSGRIN2BGRIN1CSNK1DCSNK2A2
SCHEMBL14312693 0.83 HPGDS (0.46) HPGDSMAPTLMNA
SCHEMBL14312801 0.83 HPGDS (0.40) HPGDSDGAT2CSNK2A2CSNK2BWNT3A

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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