SCHEMBL21569113

SCHEMBL21569113

N#Cc1cccc(NC(=O)CNc2nc3ccc(C(F)(F)F)cc3s2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 13/20 0.54
▸ ACP1 P24666 1/20 0.52
▸ DYRK1A Q13627 2/20 0.51
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MGLL Q99685 1/20 0.44

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
SCHEMBL23256548 0.86 CSNK1D (0.61) CSNK1DACP1DYRK1AALDH1A1CYP2D6
SCHEMBL21568186 0.84 CSNK1D (0.51) CSNK1DACP1DYRK1A
SCHEMBL21568248 0.75 CSNK1D (0.70) CSNK1DACP1DYRK1ANPC1RAB9A
SCHEMBL23256883 0.74 DYRK1A (0.66) CSNK1DDYRK1ANPC1ALDH1A1NFKB1
SCHEMBL21552285 0.74 CSNK1D (0.60) CSNK1DACP1DYRK1ANPC1RAB9A
SCHEMBL21568075 0.73 CSNK1D (0.59) CSNK1DACP1DYRK1AALDH1A1CYP2D6
SCHEMBL23256882 0.73 DYRK1A (0.58) DYRK1ANPC1ALDH1A1NFKB1RAB9A
SCHEMBL21568172 0.72 DYRK1A (0.60) CSNK1DACP1DYRK1ANPC1NFKB1
SCHEMBL21569134 0.72 KDR (0.56) CSNK1DACP1DYRK1ANPC1RAB9A
SCHEMBL21568178 0.71 CSNK1D (0.65) CSNK1DACP1DYRK1ACYP2D6

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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