SCHEMBL4446188

SCHEMBL4446188

Cc1ccn2cc(CC(=O)O)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 1.00
ALDH1A1 P00352 7/20 1.00
POLB P06746 3/20 1.00
TDP1 Q9NUW8 2/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
HPGD P15428 3/20 0.55
HSD17B10 Q99714 1/20 0.55
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 2/20 0.52
PKM P14618 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
METTL3 Q86U44 1/20 0.49

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
SCHEMBL10513383 0.88 KDM4E (0.78) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL15230641 0.83 KDM4E (0.71) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL31528532 0.82 KDM4E (0.69) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL31716981 0.81 KDM4E (0.68) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL9570185 0.81 KDM4E (0.68) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL9597293 0.81 KDM4E (0.68) KDM4EALDH1A1POLBTDP1L3MBTL1
Hydrochloric Acid SCHEMBL30024824 0.81 ALDH1A1 (0.68) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL21301424 0.80 KDM4E (0.66) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL12329335 0.79 KDM4E (0.65) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL31716611 0.79 KDM4E (0.65) KDM4EALDH1A1POLBTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194477-A1 KINASE PROTEIN BINDING INHIBITORS ROSWELL PARK CANCER INSTITUTE (US) 2014-07-10 US disclosed
US-8404669-B2 Kinase modulating compounds and uses thereof for treatment of cancer UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-03-26 US disclosed
WO-2012139001-A2 KINASE PROTEIN BINDING INHIBITORS ROSWELL PARK CANCER INSTITUTE (US) 2012-10-11 WO disclosed
EP-2136829-A1 KINASE PROTEIN BINDING INHIBITORS University Of Florida Research Foundation (US) 2009-12-30 EP disclosed
US-20090239850-A1 Kinase protein binding inhibitors UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2009-09-24 US disclosed
WO-2008115443-A1 KINASE PROTEIN BINDING INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2008-09-25 WO disclosed
EP-0370381-B1 2(1H)-quinolinone compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-05-10 EP disclosed
US-4988698-A Cardiovascular disorders, hypotensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-29 US disclosed
EP-0370381-A2 2(1H)-quinolinone compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-30 EP disclosed