SCHEMBL6992439

SCHEMBL6992439

Cc1cn(CCc2cccn2C)cn1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 16/20 0.40
ALPL P05186 2/20 0.38
PLAA Q9Y263 1/20 0.38
ALPG P10696 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 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
SCHEMBL28800303 0.75 QPCT (0.44) QPCTALPLPLAAALPG
SCHEMBL31251980 0.74 QPCT (0.48) QPCTALPLPLAAALPG
SCHEMBL6997229 0.73 TBXAS1 (0.50)
SCHEMBL22180834 0.73 QPCT (0.38) QPCTALPLPLAAALPG
SCHEMBL6763115 0.71 HSD17B10 (0.46) QPCT
SCHEMBL4468564 0.70 KDM4C (0.41) QPCTALPLPLAAALPG
SCHEMBL6991156 0.70 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C19
SCHEMBL634200 0.70 CYP1A2 (0.45) QPCTALPLPLAACYP3A4CYP2D6
SCHEMBL8591843 0.68 TBXAS1 (0.44) QPCTALPLPLAACYP3A4CYP2D6
SCHEMBL466537 0.68 QPCT (0.43) QPCTALPLPLAAALPG

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-0588859-B1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA NV (BE) 2003-08-13 EP disclosed
US-5461050-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-24 US disclosed
EP-0588859-A1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 EP disclosed
WO-1992022553-A1 IMIDAZO[1,2-a](PYRROLO, THIENO OR FURANO)[3,2-d]AZEPINE DERIVATIVES, COMPOSITIONS AND METHODS OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 WO disclosed
EP-0518434-A1 Imidazo(1,2-a)(pyrrolo, thieno or furano)(3,2-d)azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed