SCHEMBL10685000

SCHEMBL10685000

O=C1c2cccnc2N(c2ccc(Cl)c(Cl)c2)C2=NCCCN12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
BCL2A1 Q16548 2/20 0.37
RAD51 Q06609 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
BCL2 P10415 1/20 0.37
ALOX12 P18054 1/20 0.37
BID P55957 1/20 0.37
BCL2L1 Q07817 1/20 0.37
BCL2L2 Q92843 1/20 0.37
KAT2B Q92831 1/20 0.37
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 2/20 0.36
ABL1 P00519 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL10687000 0.93 TSHR (0.40) MAPTNPC1POLBMAPK1RAB9A
SCHEMBL10685804 0.88 CASP6 (0.42) MAPTPOLBMAPK1BCL2A1ALDH1A1
SCHEMBL10688219 0.84 ALDH1A1 (0.43) MAPTNPC1POLBRAB9AALDH1A1
SCHEMBL10685215 0.81 CASP6 (0.43) MAPTPOLBMAPK1BCL2A1ALDH1A1
SCHEMBL10686019 0.81 CACNA2D1 (0.41) MAPTNPC1ALDH1A1LMNAKAT2B
SCHEMBL10682185 0.80 SCN2A (0.49) MAPTBCL2A1ALDH1A1
SCHEMBL10681336 0.77 ALDH1A1 (0.43) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL10684999 0.76 TSHR (0.37) MAPTNPC1POLBRAB9AALDH1A1
SCHEMBL10688176 0.74 CACNA2D1 (0.43) MAPTNPC1ALDH1A1KAT2BSLC6A2
SCHEMBL10684358 0.74 CYP11B2 (0.49) MAPTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220282-A1 PYRIMIDINE DERIVATIVES HAVING ANTI-ALLERGY, ANTI-INFLAMMATORY AND IMMUNO SUPPRESSANT ACTIVITY SCHERING CORPORATION (US) 1987-05-06 EP claimed
WO-1986006375-A2 PYRIMIDINE DERIVATIVES HAVING ANTI-ALLERGY, ANTI-INFLAMMATORY AND IMMUNO SUPPRESSANT ACTIVITY SCHERING CORPORATION (US) 1986-11-06 WO claimed
US-4725596-A Pyrimidine derivatives having anti-allergy, anti-inflammatory and immuno suppressant activity SCHERING CORPORATION (US) 1988-02-16 US disclosed
EP-0220282-A1 PYRIMIDINE DERIVATIVES HAVING ANTI-ALLERGY, ANTI-INFLAMMATORY AND IMMUNO SUPPRESSANT ACTIVITY SCHERING CORPORATION (US) 1987-05-06 EP disclosed
WO-1986006375-A2 PYRIMIDINE DERIVATIVES HAVING ANTI-ALLERGY, ANTI-INFLAMMATORY AND IMMUNO SUPPRESSANT ACTIVITY SCHERING CORPORATION (US) 1986-11-06 WO disclosed