SCHEMBL9618757

SCHEMBL9618757

N#CSc1nc(Cl)ncc1Br

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
RPS6KA5 O75582 1/20 0.34
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
PIN1 Q13526 1/20 0.31
MYC P01106 1/20 0.31
WDR5 P61964 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TYRO3 Q06418 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL9618980 0.81 CSNK1A1 (0.40) CSNK1A1CLK4RPS6KA5PIN1MYC
SCHEMBL9618908 0.81 MYC (0.32) MYCWDR5HTT
SCHEMBL9618767 0.78 CSNK1A1 (0.38) CSNK1A1CLK4RPS6KA5PIN1MYC
SCHEMBL9618787 0.78 MYC (0.31) MYCWDR5HTT
SCHEMBL9618904 0.78 CSNK1A1 (0.38) CSNK1A1CLK4PIN1MYCWDR5
SCHEMBL10748182 0.75 CSNK1A1 (0.36) CSNK1A1CLK4PIN1HTTMEN1
SCHEMBL1416493 0.75 ABL1 (0.37) RPS6KA5ABL1BCRMEN1KMT2A
SCHEMBL29397320 0.75 ABL1 (0.37) RPS6KA5ABL1BCRMEN1KMT2A
SCHEMBL1265422 0.71 PIN1 (0.46) PIN1HTT
SCHEMBL9618795 0.70 RPS6KA5 (0.31) RPS6KA5MYCWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244193-B1 DIHALOGEN-SUBSTITUTED THIOCYANOPYRIMIDINE DERIVATIVES MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-01-08 EP claimed
EP-0244193-A2 Dihalogen-substituted thiocyanopyrimidine derivatives MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-11-04 EP claimed
EP-0244193-B1 DIHALOGEN-SUBSTITUTED THIOCYANOPYRIMIDINE DERIVATIVES MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-01-08 EP disclosed
US-4814337-A Dihalogen-substituted thiocyanopyrimidine derivatives, and agricultural and horticultural fungicidal compositions containing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1989-03-21 US disclosed
EP-0244193-A2 Dihalogen-substituted thiocyanopyrimidine derivatives MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-11-04 EP disclosed