SCHEMBL5019604

SCHEMBL5019604

Cn1nnc(N2CCC(C3CC3)=C(c3cnc(NC(=O)c4cccc(F)c4F)cn3)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
CRACR2A Q9BSW2 2/20 0.36
WDR5 P61964 1/20 0.36
MAP3K5 Q99683 11/20 0.35
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
HTR1A P08908 1/20 0.33
HTR1F P30939 1/20 0.33
IL2 P60568 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KIF18A Q8NI77 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
SCHEMBL5019662 0.91 IL2 (0.40) KMT2ACRACR2AMAP3K5HTR1FIL2
SCHEMBL5019603 0.89 KMT2A (0.39) KMT2AWDR5MAP3K5WNT1GSK3B
SCHEMBL5019607 0.89 STIM1 (0.42) CRACR2AMAP3K5HTR1FIL2NPC1
SCHEMBL5019579 0.83 KMT2A (0.39) KMT2AMAP3K5WNT1GSK3BDYRK1A
SCHEMBL3826508 0.82 KMT2A (0.47) KMT2AMAP3K5WNT1GSK3BDYRK1A
SCHEMBL3825366 0.80 IL2 (0.44) KMT2AMAP3K5HTR1AHTR1FIL2
SCHEMBL4999197 0.78 IL2 (0.41) KMT2AMAP3K5HTR1AHTR1FIL2
SCHEMBL8186422 0.77 IL2 (0.40) KMT2AMAP3K5WNT1GSK3BDYRK1A
SCHEMBL12650398 0.77 IL2 (0.40) KMT2AMAP3K5WNT1GSK3BDYRK1A
SCHEMBL3824488 0.77 IL2 (0.42) KMT2AHTR1FIL2ALDH1A1

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-2012064808-A1 TETRAZOLYL - TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE - RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2012-05-18 WO disclosed