SCHEMBL6861972

SCHEMBL6861972

Cc1cc(F)ccc1-c1cnc(NCCN(C)C)nc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 1/20 0.42
NMT1 P30419 1/20 0.42
SYK P43405 1/20 0.41
CSNK2A1 P68400 2/20 0.40
TDO2 P48775 1/20 0.39
CCNT1 O60563 3/20 0.38
CDK2 P24941 3/20 0.38
CDK9 P50750 3/20 0.38
CCNA2 P20248 2/20 0.38
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
CCNE1 P24864 1/20 0.36
CSF1R P07333 2/20 0.36
CCNA1 P78396 1/20 0.36
ABL1 P00519 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
GPBAR1 Q8TDU6 2/20 0.35

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
SCHEMBL6872231 0.95 NMT2 (0.41) NMT2NMT1SYKCSNK2A1TDO2
SCHEMBL6872236 0.87 NMT2 (0.40) NMT2NMT1SYKCSNK2A1TDO2
SCHEMBL6869463 0.84 ATM (0.43) SYKCSNK2A1
SCHEMBL6862226 0.84 SCN9A (0.43) NMT2NMT1SYKCSNK2A1TDO2
SCHEMBL6866448 0.80 SYK (0.41) SYKCSNK2A1
SCHEMBL6868900 0.80 TDO2 (0.39) TDO2GRIN1GRIN2BGPBAR1
SCHEMBL6868447 0.79 KDM4E (0.41) GRIN1GRIN2BGPBAR1
SCHEMBL6862593 0.78 KDM4E (0.46) SYKCSNK2A1
SCHEMBL6861936 0.77 HTR7 (0.45)
SCHEMBL6869416 0.77 ATM (0.50) NMT2NMT1SYKCSNK2A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1187338-C 5-phenyl-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2005-02-02 CN claimed
EP-1187814-B1 5-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-18 EP claimed
US-6756380-B1 NEUROKININ 1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. 2004-06-29 US claimed
CN-1353696-A 5-phenyl-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2002-06-12 CN claimed
EP-1187814-A2 5-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 EP claimed
WO-2000073278-A2 5-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 WO claimed
CN-1187338-C 5-phenyl-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2005-02-02 CN disclosed
EP-1187814-B1 5-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-18 EP disclosed
US-6756380-B1 NEUROKININ 1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. 2004-06-29 US disclosed
CN-1353696-A 5-phenyl-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2002-06-12 CN disclosed
EP-1187814-A2 5-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 EP disclosed
WO-2000073278-A2 5-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 WO disclosed