SCHEMBL7704510

SCHEMBL7704510

CN1CCN(c2ncc(-c3nc4ccccc4s3)c(CC#N)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
IRAK4 Q9NWZ3 5/20 0.43
AURKA O14965 1/20 0.42
FLT4 P35916 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 8/20 0.41
TSHR P16473 6/20 0.41
HSD17B10 Q99714 6/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 6/20 0.41
CASP1 P29466 4/20 0.41

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
SCHEMBL7396523 0.91 ILK (0.41) POLBALDH1A1TSHRHSD17B10KMT2A
SCHEMBL7393436 0.88 ILK (0.44) IRAK4ALDH1A1HSD17B10KMT2AMEN1
SCHEMBL5596770 0.88 SMN1; SMN2 (0.46) IRAK4ALDH1A1HSD17B10KMT2AMEN1
SCHEMBL5596381 0.83 TSHR (0.41) POLBALDH1A1TSHRHSD17B10KMT2A
SCHEMBL5103679 0.80 IRAK4 (0.46) IRAK4AURKAFLT4POLBMGLL
SCHEMBL5042890 0.78 MAPK9 (0.46) AURKAFLT4POLBALDH1A1TSHR
SCHEMBL5103637 0.76 ALDH1A1 (0.46) POLBALDH1A1TSHRHSD17B10KMT2A
SCHEMBL5596710 0.76 ALDH1A1 (0.47) POLBALDH1A1KMT2AMEN1HPGD
SCHEMBL5975398 0.73 IRAK4 (0.37) IRAK4ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL4950093 0.73 LTA4H (0.50) POLBALDH1A1RAB9ASMN1; SMN2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP disclosed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO disclosed