SCHEMBL8305769

SCHEMBL8305769

Nc1ccc(C(=O)c2ccccn2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
PKM P14618 4/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 3/20 0.47
CDK5 Q00535 1/20 0.47
KLF5 Q13887 1/20 0.47
CDK5R1 Q15078 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
AGTR1 P30556 1/20 0.47
JAK2 O60674 1/20 0.47
TYK2 P29597 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
GRM4 Q14833 4/20 0.46
ATM Q13315 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44

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
SCHEMBL28335130 0.84 KMT2A (0.63) RAB9ANPC1PKMMAPTKMT2A
SCHEMBL28337455 0.82 GRM4 (0.60) RAB9ANPC1PKMMAPTKMT2A
SCHEMBL28337424 0.82 RAB9A (0.53) RAB9ANPC1PKMMAPTKMT2A
SCHEMBL17842156 0.80 GRM4 (0.64) RAB9ANPC1PKMKMT2AL3MBTL1
SCHEMBL7090488 0.78 JAK2 (0.53) PKMMAPTKMT2AJAK2TYK2
SCHEMBL8307409 0.77 NPC1 (0.66) RAB9ANPC1PKMMAPTKMT2A
SCHEMBL342047 0.77 RECQL (0.58) RAB9ANPC1PKMMAPTKMT2A
SCHEMBL31366584 0.77 RECQL (0.58) RAB9ANPC1PKMMAPTKMT2A
SCHEMBL5963546 0.76 MAPK13 (0.58) MAPTKMT2AJAK2TYK2ALDH1A1
SCHEMBL21835620 0.75 TSHR (0.50) RAB9ANPC1L3MBTL1AGTR1ALDH1A1

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