SCHEMBL23536767

SCHEMBL23536767

C1=C(c2c[nH]c3cccnc23)CCC2(C1)COCCO2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
MAP4K1 Q92918 1/20 0.32
PRKD3 O94806 1/20 0.31
PRKD1 Q15139 1/20 0.31
PRKD2 Q9BZL6 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL13424862 0.83 CDK7 (0.34) KDRFLT3GSK3BMAP4K1PRKD3
SCHEMBL3227382 0.83 FLT3 (0.36) KDRFLT3GSK3BMAP4K1PRKD3
SCHEMBL23536526 0.76 FLT3 (0.34) KDRFLT3GSK3BMAP4K1PRKD3
SCHEMBL23536642 0.74 PIM1 (0.42) KDRFLT3GSK3BPRKD3PRKD1
SCHEMBL23536621 0.72 PDE10A (0.38) GRM4
SCHEMBL23536571 0.70 FLT3 (0.39) KDRFLT3GSK3BPRKD3PRKD1
SCHEMBL3661901 0.70 FLT3 (0.37) KDRFLT3GSK3BPRKD3PRKD1
SCHEMBL9697101 0.67 KDM4E (0.61) PRKD3CDK9KDM4EMEN1ALDH1A1
SCHEMBL3209524 0.66 FLT3 (0.40) KDRFLT3GSK3BPRKD3PRKD1
SCHEMBL3627711 0.65 SLC6A4 (0.64) KDM4EHSD17B10

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-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed