SCHEMBL19644484

SCHEMBL19644484

Cc1ccc(Cl)cc1-n1ccc2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.45
PDE4B Q07343 2/20 0.44
PDE4D Q08499 2/20 0.44
PKM P14618 1/20 0.44
CDC7 O00311 1/20 0.43
CDK2 P24941 1/20 0.43
TNKS O95271 1/20 0.41
NR4A2 P43354 1/20 0.41
TP53 P04637 2/20 0.41
SLC22A12 Q96S37 3/20 0.41
HCAR1 Q9BXC0 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL27839782 0.75 BIRC5 (0.54) PDE4BPDE4DPKMCDC7CDK2
SCHEMBL31070284 0.75 HPGD (0.52) PDE4BPDE4DPKMCDC7CDK2
SCHEMBL28545337 0.75 HPGD (0.52) PDE4BPDE4DPKMCDC7CDK2
SCHEMBL31049775 0.73 RAPGEF4 (0.44) RAPGEF4PKMCDC7CDK2SLC22A12
SCHEMBL30424543 0.73 RAPGEF4 (0.56) RAPGEF4CDC7CDK2SLC22A12ENPP3
SCHEMBL10094619 0.72 CDC7 (0.50) RAPGEF4CDC7CDK2SLC22A12ENPP3
SCHEMBL4801964 0.71 CDC7 (0.41) RAPGEF4CDC7CDK2SLC22A12JAK2
SCHEMBL2295440 0.71 CDC7 (0.56) RAPGEF4PKMCDC7CDK2SLC22A12
SCHEMBL16863761 0.71 RAPGEF4 (0.50) RAPGEF4PDE4BCDC7CDK2SLC22A12
SCHEMBL28441844 0.70 SLC22A12 (0.53) RAPGEF4CDC7CDK2SLC22A12SLC22A6

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
EP-3463341-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES The Rockefeller University (US) 2019-04-10 EP disclosed
WO-2017205296-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-11-30 WO disclosed