SCHEMBL5019607

SCHEMBL5019607

Cc1cccc(F)c1C(=O)Nc1cnc(C2=C(C3CC3)CCN(c3nnn(C)n3)C2)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.42
ORAI1 Q96D31 1/20 0.42
ORAI2 Q96SN7 1/20 0.42
IL2 P60568 7/20 0.40
HTR1F P30939 2/20 0.34
MAP3K5 Q99683 6/20 0.34
CRACR2A Q9BSW2 2/20 0.34
FFAR1 O14842 1/20 0.32
CHRM5 P08912 1/20 0.32
DRD5 P21918 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1E P28566 1/20 0.32
HTR7 P34969 1/20 0.32
OPRK1 P41145 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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 0.95 IL2 (0.40) STIM1ORAI1ORAI2IL2HTR1F
SCHEMBL5019604 0.89 KMT2A (0.37) IL2HTR1FMAP3K5CRACR2ANPC1
SCHEMBL3825366 0.86 IL2 (0.44) STIM1ORAI1ORAI2IL2HTR1F
SCHEMBL5019760 0.84 IL2 (0.38) STIM1ORAI1IL2CRACR2ANPC1
SCHEMBL8186422 0.83 IL2 (0.40) STIM1ORAI1ORAI2IL2HTR1F
SCHEMBL3824488 0.82 IL2 (0.42) STIM1ORAI1ORAI2IL2HTR1F
SCHEMBL12650398 0.82 IL2 (0.40) STIM1ORAI1ORAI2IL2MAP3K5
SCHEMBL4999197 0.82 IL2 (0.41) STIM1ORAI1ORAI2IL2HTR1F
SCHEMBL15386459 0.80 IL2 (0.39) STIM1ORAI1ORAI2IL2HTR1F
SCHEMBL1781053 0.79 CRACR2A (0.40) STIM1ORAI1IL2CRACR2ANPC1

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