SCHEMBL900019

SCHEMBL900019

CS(=O)(=O)c1cccc(-c2csc3ncnc(NCc4ccccn4)c23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 18/20 1.00
TNF P01375 2/20 0.71
NOD1 Q9Y239 2/20 0.71
MAPK1 P28482 1/20 0.71
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.59
PKM P14618 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL900015 0.86 PIP4K2C (1.00) PIP4K2C
SCHEMBL2369019 0.84 MAPK1 (1.00) PIP4K2CTNFNOD1MAPK1ALDH1A1
SCHEMBL3385848 0.83 TNF (0.78) PIP4K2CTNFNOD1MAPK1ALDH1A1
SCHEMBL3387453 0.83 TNF (0.78) PIP4K2CTNFNOD1MAPK1ALDH1A1
SCHEMBL3387853 0.83 TNF (0.74) PIP4K2CTNFNOD1MAPK1ALDH1A1
SCHEMBL903108 0.82 PIP4K2C (0.79) PIP4K2CALDH1A1
SCHEMBL903171 0.82 PIP4K2C (0.89) PIP4K2C
SCHEMBL3381243 0.81 TNF (0.74) PIP4K2CTNFNOD1MAPK1ALDH1A1
SCHEMBL903207 0.81 PIP4K2C (1.00) PIP4K2CALDH1A1
SCHEMBL2368708 0.80 TNF (0.83) PIP4K2CTNFNOD1MAPK1ALDH1A1

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
WO-2012044993-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF TREATING OR PREVENTING NEURODEGENERATIVE DISEASES OR DISORDERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-04-05 WO disclosed
WO-2012044993-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF TREATING OR PREVENTING NEURODEGENERATIVE DISEASES OR DISORDERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-04-05 WO disclosed