SCHEMBL19951665

SCHEMBL19951665

Brc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.68
KCNA3 P22001 2/20 0.68
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
ADORA3 P0DMS8 3/20 0.37
NR1I2 O75469 2/20 0.37
TBXA2R P21731 2/20 0.37
CCKBR P32239 2/20 0.37
OPRK1 P41145 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNH2 Q12809 2/20 0.37
NR1H4 Q96RI1 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
CA2 P00918 2/20 0.37
MEN1 O00255 1/20 0.37
SLC22A1 O15245 1/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
TRPM2 O94759 1/20 0.37

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
SCHEMBL2392374 0.82 KCNN4 (0.69) KCNN4KCNA3CYP11B1CYP11B2ADORA3
SCHEMBL28044107 0.81 KCNN4 (0.68) KCNN4KCNA3CYP11B1CYP11B2ADORA3
SCHEMBL29499525 0.81 KCNN4 (1.00) KCNN4KCNA3CYP11B1CYP11B2ADORA3
SCHEMBL41130 0.81 KCNN4 (1.00) KCNN4KCNA3CYP11B1CYP11B2ADORA3
SCHEMBL2392101 0.81 KCNN4 (0.72) KCNN4KCNA3CYP11B1CYP11B2ADORA3
SCHEMBL23995584 0.81 KCNN4 (0.68) KCNN4KCNA3CYP11B1CYP11B2ADORA3
SCHEMBL2338372 0.81 KCNN4 (0.72) KCNN4KCNA3CYP11B1CYP11B2ADORA3
SCHEMBL1750941 0.80 KCNN4 (0.58) KCNN4KCNA3CYP11B1CYP11B2ADORA3
SCHEMBL29008837 0.77 KCNN4 (0.62) KCNN4KCNA3CYP11B1CYP11B2ADORA3
SCHEMBL29008831 0.74 KCNN4 (0.58) KCNN4KCNA3CYP11B1CYP11B2ADORA3

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-2018049214-A9 PYRAZOLOPYRIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-10-18 WO disclosed
WO-2018049214-A1 PYRAZOLOPYRIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-03-15 WO disclosed