SCHEMBL30120733

SCHEMBL30120733

CN1CCC(n2cc(-c3ccc4c(c3F)CCN4)c3c(N)ncnc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 3/20 0.51
SRC P12931 10/20 0.48
RIPK2 O43353 7/20 0.48
KIT P10721 2/20 0.48
FLT3 P36888 2/20 0.48
PDGFRB P09619 1/20 0.48
SIK1 P57059 1/20 0.48
RIPK4 P57078 1/20 0.48
DDR1 Q08345 1/20 0.48
RIPK1 Q13546 1/20 0.48
DSTYK Q6XUX3 1/20 0.48
RIPK3 Q9Y572 1/20 0.48
EGFR P00533 6/20 0.45
ABL1 P00519 5/20 0.45
ABL2 P42684 4/20 0.45
AXL P30530 2/20 0.45
PLK4 O00444 1/20 0.45
DCLK1 O15075 1/20 0.45
PDPK1 O15530 1/20 0.45
PRKD3 O94806 1/20 0.45

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
SCHEMBL24650666 1.00 EIF2AK3 (0.51) EIF2AK3SRCRIPK2KITFLT3
SCHEMBL24651194 0.92 SRC (0.53) SRCRIPK2KITFLT3PDGFRB
SCHEMBL30120922 0.92 SRC (0.53) SRCRIPK2KITFLT3PDGFRB
SCHEMBL869108 0.83 EIF2AK3 (0.49) EIF2AK3RIPK1
SCHEMBL29911812 0.83 EIF2AK3 (0.49) EIF2AK3RIPK1
Hydrochloric Acid SCHEMBL868686 0.82 EIF2AK3 (0.48) EIF2AK3RIPK1
Hydrochloric Acid SCHEMBL23042914 0.82 EIF2AK3 (0.48) EIF2AK3RIPK1
SCHEMBL24650658 0.81 SRC (0.53) SRCRIPK2KITFLT3PDGFRB
SCHEMBL30120822 0.81 SRC (0.53) SRCRIPK2KITFLT3PDGFRB
SCHEMBL19743545 0.79 EIF2AK3 (0.63) EIF2AK3SRCRIPK2KITFLT3

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-2022212326-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-06 WO disclosed