SCHEMBL23536571

SCHEMBL23536571

COCC1(C)CC=C(c2c[nH]c3cccnc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.39
KDR P35968 1/20 0.39
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRKD3 O94806 1/20 0.34
PRKD1 Q15139 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
HTR1A P08908 2/20 0.32
SLC6A4 P31645 1/20 0.32
PIM1 P11309 1/20 0.32

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
SCHEMBL23536843 0.80 ITK (0.40) FLT3KDR
SCHEMBL3661901 0.75 FLT3 (0.37) FLT3KDRGSK3BKDM4EMEN1
SCHEMBL23536526 0.75 FLT3 (0.34) FLT3KDRGSK3BKDM4EMEN1
SCHEMBL3227382 0.74 FLT3 (0.36) FLT3KDRGSK3BKDM4EMEN1
SCHEMBL13424862 0.73 CDK7 (0.34) FLT3KDRGSK3BKDM4EMEN1
SCHEMBL23536730 0.71 HTR1F (0.40) FLT3KDRGSK3BHTR1ASSTR3
SCHEMBL23536767 0.70 KDR (0.34) FLT3KDRGSK3BKDM4EMEN1
SCHEMBL9697101 0.68 KDM4E (0.61) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL3627711 0.68 SLC6A4 (0.64) KDM4EHSD17B10HTR1ASLC6A4LMNA
SCHEMBL3209524 0.67 FLT3 (0.40) FLT3KDRGSK3BKDM4EMEN1

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