SCHEMBL9618980

SCHEMBL9618980

N#CSc1nc(Cl)ncc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
PIN1 Q13526 1/20 0.33
MYC P01106 2/20 0.32
WDR5 P61964 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
TYRO3 Q06418 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
USP2 O75604 1/20 0.31
USP8 P40818 1/20 0.31
USP5 P45974 1/20 0.31
USP4 Q13107 1/20 0.31
USP7 Q93009 1/20 0.31
RPS6KA5 O75582 2/20 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
SCHEMBL9618904 0.81 CSNK1A1 (0.38) CSNK1A1CLK4PIN1MYCWDR5
SCHEMBL9618767 0.81 CSNK1A1 (0.38) CSNK1A1CLK4PIN1MYCWDR5
SCHEMBL9618757 0.81 CSNK1A1 (0.38) CSNK1A1CLK4PIN1MYCWDR5
SCHEMBL9618795 0.81 RPS6KA5 (0.31) MYCWDR5KDM4EALDH1A1POLB
SCHEMBL9618858 0.81 MYC (0.31) MYCWDR5KDM4EALDH1A1POLB
SCHEMBL9618754 0.81 RPS6KA5 (0.31) MYCWDR5KDM4EALDH1A1POLB
SCHEMBL10748182 0.78 CSNK1A1 (0.36) CSNK1A1CLK4PIN1KDM4EALDH1A1
SCHEMBL1265422 0.74 PIN1 (0.46) PIN1ALDH1A1
SCHEMBL3723468 0.72 MEN1 (0.39) CSNK1A1CLK4KDM4EALDH1A1TYRO3
SCHEMBL31255109 0.71 MEN1 (0.38) CSNK1A1CLK4KDM4EALDH1A1

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