SCHEMBL5019662

SCHEMBL5019662

Cn1nnc(N2CCC(C3CC3)=C(c3cnc(NC(=O)c4c(F)cccc4F)cn3)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 8/20 0.40
CRACR2A Q9BSW2 4/20 0.37
HTR1F P30939 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CHRM5 P08912 1/20 0.35
DRD5 P21918 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1E P28566 1/20 0.35
HTR7 P34969 1/20 0.35
OPRK1 P41145 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
RORC P51449 1/20 0.34
MAP3K5 Q99683 1/20 0.34

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
SCHEMBL5019607 0.95 STIM1 (0.42) IL2CRACR2AHTR1FSTIM1ORAI1
SCHEMBL5019604 0.91 KMT2A (0.37) IL2CRACR2AHTR1FKMT2ANPC1
SCHEMBL3825366 0.88 IL2 (0.44) IL2HTR1FMEN1KMT2ASTIM1
SCHEMBL4999197 0.86 IL2 (0.41) IL2HTR1FMEN1KMT2ASTIM1
SCHEMBL15386459 0.84 IL2 (0.39) IL2HTR1FMEN1KMT2ASTIM1
SCHEMBL8186422 0.84 IL2 (0.40) IL2HTR1FMEN1KMT2ASTIM1
SCHEMBL1781053 0.83 CRACR2A (0.40) IL2CRACR2AKMT2ASTIM1ORAI1
SCHEMBL3824488 0.83 IL2 (0.42) IL2HTR1FMEN1KMT2ASTIM1
SCHEMBL12650398 0.83 IL2 (0.40) IL2MEN1KMT2ASTIM1ORAI1
SCHEMBL5019579 0.80 KMT2A (0.39) IL2KMT2ASTIM1ORAI1ORAI2

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