SCHEMBL30120922

SCHEMBL30120922

Nc1ncnc2c1c(-c1ccc3c(c1F)CCN3)cn2C1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 0.53
RIPK2 O43353 9/20 0.53
PDGFRB P09619 1/20 0.53
KIT P10721 1/20 0.53
FLT3 P36888 1/20 0.53
SIK1 P57059 1/20 0.53
RIPK4 P57078 1/20 0.53
DDR1 Q08345 1/20 0.53
RIPK1 Q13546 1/20 0.53
DSTYK Q6XUX3 1/20 0.53
RIPK3 Q9Y572 1/20 0.53
EGFR P00533 6/20 0.48
ABL1 P00519 5/20 0.48
ABL2 P42684 5/20 0.48
FGR P09769 1/20 0.46
EPHA1 P21709 1/20 0.46
TXK P42681 1/20 0.46
FRK P42685 1/20 0.46
PTK6 Q13882 1/20 0.46
LCK P06239 1/20 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
SCHEMBL24651194 1.00 SRC (0.53) SRCRIPK2PDGFRBKITFLT3
SCHEMBL24650666 0.92 EIF2AK3 (0.51) SRCRIPK2PDGFRBKITFLT3
SCHEMBL30120733 0.92 EIF2AK3 (0.51) SRCRIPK2PDGFRBKITFLT3
SCHEMBL30120822 0.88 SRC (0.53) SRCRIPK2PDGFRBKITFLT3
SCHEMBL24650658 0.88 SRC (0.53) SRCRIPK2PDGFRBKITFLT3
SCHEMBL869108 0.84 EIF2AK3 (0.49) RIPK1
SCHEMBL29911812 0.84 EIF2AK3 (0.49) RIPK1
Hydrochloric Acid SCHEMBL23042914 0.83 EIF2AK3 (0.48) RIPK1
Hydrochloric Acid SCHEMBL868686 0.83 EIF2AK3 (0.48) RIPK1
SCHEMBL24651064 0.82 IGF1R (0.47) SRCRIPK2PDGFRBKITFLT3

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