SCHEMBL3531609

SCHEMBL3531609

Nc1ccc(C(=O)c2ccc(F)cc2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.49
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.44
JAK2 O60674 1/20 0.43
TYK2 P29597 1/20 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
HPGD P15428 1/20 0.42
HSD11B1 P28845 1/20 0.41
LTA4H P09960 1/20 0.41
PYGL P06737 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 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 0.90 SRD5A2 (0.54) SRD5A2MAPTRAB9AGAAALDH1A1
SCHEMBL1149168 0.86 SRD5A2 (0.60) SRD5A2MAPTRAB9ANPC1JAK2
SCHEMBL4694883 0.86 GAA (0.56) SRD5A2MAPTRAB9AGAAALDH1A1
SCHEMBL29088628 0.83 MAPT (0.51) SRD5A2MAPTRAB9AGAAALDH1A1
SCHEMBL28443537 0.83 MAPT (0.43) MAPTGAAALDH1A1LMNAPKM
SCHEMBL611648 0.83 SRD5A2 (0.70) SRD5A2MAPTRAB9AGAAALDH1A1
SCHEMBL5963546 0.83 MAPK13 (0.58) SRD5A2MAPTGAAALDH1A1LMNA
SCHEMBL3531926 0.83 CES2 (0.46) SRD5A2ALDH1A1LMNANPC1MAPK13
SCHEMBL5174799 0.83 MAPK14 (0.53) GAAALDH1A1LMNAPKMNPC1
SCHEMBL7090488 0.82 JAK2 (0.53) SRD5A2MAPTGAAALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709479-B1 Quinazoline derivatives and their use as pharmaceuticals ASTRAZENECA (SE) 2010-05-04 US disclosed
EP-1218354-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021596-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-03-29 WO disclosed
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
US-5276037-A Antiinflammatory agents, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-04 US disclosed
US-5225438-A Lipoxygenase inhibitors for antiinflammatory agents or antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
EP-0488602-A1 Aryl derivatives ZENECA LIMITED (GB) 1992-06-03 EP disclosed