SCHEMBL23536710

SCHEMBL23536710

CC1(C)CC2(CC=C(c3n[nH]c4cccnc34)CC2)CO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 18/20 0.39
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
CCNB2 O95067 1/20 0.36
ABL1 P00519 1/20 0.36
CDK1 P06493 1/20 0.36
PDGFRB P09619 1/20 0.36
CDK4 P11802 1/20 0.36
SRC P12931 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
WEE1 P30291 1/20 0.36
TTK P33981 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
NEK2 P51955 1/20 0.36
CCNA1 P78396 1/20 0.36

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
SCHEMBL23536526 0.80 FLT3 (0.34) KDRFLT3GRM4IRAK4
SCHEMBL23536843 0.75 ITK (0.40) ITKPLK4CHEK1AURKACCNB2
SCHEMBL23536664 0.74 GRM4 (0.38) ITKGRM4
SCHEMBL23536643 0.65 HTR1F (0.36)
SCHEMBL23536645 0.65 HTR1F (0.36)
SCHEMBL23569915 0.64
SCHEMBL6634641 0.62 HTR2A (0.46) ITKAURKATTK
SCHEMBL322023 0.62 ITK (0.57) ITKPLK4CHEK1AURKACCNB2
SCHEMBL5458493 0.61 LRRK2 (0.67) ITKPLK4CHEK1AURKACCNB2
SCHEMBL13424862 0.61 CDK7 (0.34) KDRFLT3GRM4IRAK4

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