SCHEMBL8309451

SCHEMBL8309451

Nc1ccc(C(=O)c2ccncc2)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.61
TYK2 P29597 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.46
SRD5A2 P31213 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
JAK1 P23458 1/20 0.42
LMNA P02545 2/20 0.41
LTA4H P09960 1/20 0.41
CA1 P00915 1/20 0.40

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
SCHEMBL7183309 0.86 SRD5A2 (0.54) JAK2TYK2SMN1; SMN2MAPTALDH1A1
SCHEMBL5963546 0.83 MAPK13 (0.58) JAK2TYK2SMN1; SMN2MAPTALDH1A1
SCHEMBL1149168 0.83 SRD5A2 (0.60) JAK2TYK2SMN1; SMN2MAPTKDM4E
SCHEMBL7090488 0.82 JAK2 (0.53) JAK2TYK2SMN1; SMN2MAPTALDH1A1
SCHEMBL8309926 0.81 RAB9A (0.50) JAK2TYK2SMN1; SMN2MAPTALDH1A1
SCHEMBL3531609 0.80 SRD5A2 (0.49) JAK2TYK2MAPTALDH1A1RAB9A
SCHEMBL29088628 0.80 MAPT (0.51) JAK2TYK2SMN1; SMN2MAPTALDH1A1
Chlorobenzene SCHEMBL27529703 0.79 MAPK14 (0.55) SMN1; SMN2MAPTALDH1A1KDM4ERAB9A
SCHEMBL7194395 0.78 HSD17B10 (0.58) JAK2TYK2SMN1; SMN2MAPTALDH1A1
SCHEMBL7184512 0.77 SRD5A2 (0.45) JAK2TYK2SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed