SCHEMBL21568186

SCHEMBL21568186

N#Cc1ccc(F)c(NC(=O)CNc2nc3ccc(C(F)(F)F)cc3s2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 11/20 0.51
▸ ACP1 P24666 1/20 0.51
▸ DYRK1A Q13627 2/20 0.50
▸ RIPK1 Q13546 3/20 0.47
▸ RIPK3 Q9Y572 3/20 0.47
▸ KDR P35968 2/20 0.46
▸ TEK Q02763 2/20 0.46

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
SCHEMBL21569134 0.87 KDR (0.56) CSNK1DACP1DYRK1AKDRTEK
SCHEMBL21569113 0.84 CSNK1D (0.54) CSNK1DACP1DYRK1A
SCHEMBL21568731 0.76 CSNK1D (0.56) CSNK1DACP1DYRK1AKDRTEK
SCHEMBL21568107 0.75 DYRK1A (0.58) CSNK1DACP1DYRK1AKDRTEK
SCHEMBL21568247 0.74 DYRK1A (0.55) CSNK1DACP1DYRK1AKDRTEK
SCHEMBL21568248 0.74 CSNK1D (0.70) CSNK1DACP1DYRK1AKDRTEK
SCHEMBL21568277 0.74 DYRK1A (0.44) CSNK1DDYRK1ARIPK1RIPK3KDR
SCHEMBL21568065 0.73 DYRK1A (0.57) DYRK1ARIPK1RIPK3
SCHEMBL23256658 0.73 DYRK1A (0.56) CSNK1DACP1DYRK1AKDRTEK
SCHEMBL21568278 0.73 DYRK1A (0.56) CSNK1DACP1DYRK1AKDRTEK

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
WO-2019217509-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2019-11-14 — — WO disclosed
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