SCHEMBL16298331

SCHEMBL16298331

COc1ccc2c(c1)CCN1C2=NC(c2ccc3ncnn3c2)C1c1cccc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.37
MAPK14 Q16539 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL16298326 0.77 TGFBR1 (0.37) TGFBR1MAPK14
SCHEMBL8238164 0.70 TGFBR1 (0.57) TGFBR1MAPK14
SCHEMBL8237983 0.70 TGFBR1 (0.49) TGFBR1MAPK14
SCHEMBL8229446 0.61 TGFBR1 (0.58) TGFBR1MAPK14
SCHEMBL8237303 0.58 TGFBR1 (0.59) TGFBR1
SCHEMBL11249151 0.58 RAB9A (0.49) KDM4EALDH1A1MAPTMAPK1HTT
SCHEMBL20575652 0.57 WDR5 (0.34) TGFBR1ALDH1A1MAPTHTTL3MBTL1
SCHEMBL8182056 0.56 WDR5 (0.41)
SCHEMBL7136431 0.56 DRD1 (0.46) KDM4EALDH1A1MAPTMAPK1HTT
SCHEMBL16385409 0.55 CCR1 (0.48) TGFBR1MAPK14MAPT

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
WO-2007076127-A2 CONDENSED IMIDAZOLES OR PYRAZOLES AND THEIR USE AS TRANSFORMING GROWTH FACTOR MODULATORS BIOGEN IDEC MA INC (US) 2007-07-05 WO disclosed