SCHEMBL11029949

SCHEMBL11029949

Cc1cc2cnc(C)n2c(=O)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
CA1 P00915 1/20 0.32
MAPK8 P45983 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31
TBXAS1 P24557 1/20 0.31
LPO P22079 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL5493198 0.82 TBXAS1 (0.32) MAPK8DYRK1ACLK4DYRK1BMEN1
SCHEMBL11025542 0.80 KDM4E (0.33) KDM4EALDH1A1HPGDMAPT
SCHEMBL10843815 0.64 HSD17B10 (0.38) MEN1LMNAPABPC1KMT2AHPGD
SCHEMBL4244986 0.64 USP2 (0.45) SMN1; SMN2CA1LMNAKDM4EALDH1A1
SCHEMBL27153658 0.64 USP2 (0.45) SMN1; SMN2CA1LMNAKDM4EALDH1A1
SCHEMBL11026113 0.62 KDM4E (0.31) KDM4EALDH1A1HPGD
SCHEMBL14341766 0.60 TBXAS1 (0.31) TBXAS1
SCHEMBL10844582 0.60 ALDH1A1 (0.33) ALDH1A1
SCHEMBL31136330 0.60 TNKS (0.33) KDM4EALDH1A1
SCHEMBL26734621 0.59 SMN1; SMN2 (0.37) SMN1; SMN2CA1CLK4MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4473570-A BRONCHODILATOR AGENTS RIKER LABORATORIES, INC. (US) 1984-09-25 US disclosed