SCHEMBL5019740

SCHEMBL5019740

COc1cccc(F)c1C(=O)Nc1ccc(C2=C(C)CCN(c3nnn(C)n3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.41
GFER P55789 1/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
ABL1 P00519 1/20 0.40
SRC P12931 1/20 0.40
TSHR P16473 2/20 0.39
GLA P06280 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IL2 P60568 2/20 0.38
TNF P01375 1/20 0.38
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
RORC P51449 1/20 0.37

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
SCHEMBL987243 0.92 IL2 (0.43) MAPTMEN1KMT2AIL2TNF
SCHEMBL5019598 0.90 IL2 (0.40) KDM4EMEN1KMT2AIL2TNF
SCHEMBL5019587 0.85 LCLAT1 (0.40) GAAMAPTGFERTSHRKDM4E
SCHEMBL5019609 0.85 AVPR2 (0.42) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL5019638 0.85 KMT2A (0.41) MAPTAURKAAURKBKMT2ATDP1
SCHEMBL1781817 0.85 KMT2A (0.50) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL5019637 0.84 KMT2A (0.41) MAPTMEN1KMT2ATDP1IL2
SCHEMBL1782420 0.83 IL2 (0.41) GAAMAPTMEN1KMT2AIL2
SCHEMBL5019612 0.82 IL2 (0.40) GAAMAPTMEN1KMT2AIL2
SCHEMBL5019639 0.82 IL2 (0.40) GAAMAPTKMT2AIL2TNF

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