SCHEMBL3713245

SCHEMBL3713245

NCc1ccc(-c2cnc(N)nc2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
MAP4K4 O95819 2/20 0.41
ALOX5AP P20292 3/20 0.38
FEN1 P39748 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 2/20 0.37
PIK3CA P42336 2/20 0.37
KIF11 P52732 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ULK1 O75385 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35

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
SCHEMBL3713975 0.86 PIK3CD (0.60) PIK3CDMAP4K4ALOX5APFEN1IDO1
SCHEMBL3713096 0.78 MAP4K4 (0.38) MAP4K4ALOX5APFEN1PIK3CA
SCHEMBL12875494 0.78 KIF11 (0.48) KIF11LMNAMAPTRXRARXRB
Hydrochloric Acid SCHEMBL1164597 0.76 KIF11 (0.47) IDO1KIF11LMNAMAPTRXRA
SCHEMBL18018445 0.75 PRMT5 (0.38) PIK3CDKIF11PRMT5WDR77RXRA
SCHEMBL18069486 0.73 PRMT5 (0.37) PIK3CDKIF11PRMT5WDR77RXRA
SCHEMBL545969 0.72 GAA (0.57) KDM4EALDH1A1POLBIDO1KIF11
SCHEMBL109671 0.72 IDO1 (0.65) IDO1
SCHEMBL26102152 0.71 NOTUM (0.35) IDO1RXRARXRBRXRG
SCHEMBL18197616 0.69 RPS6KB1 (0.46)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010096722-A1 3-OXO-2, 3-DIHYDRO- [1,2, 4] TRIAZOLO [4, 3-A]PYRIDINES AS SOLUBLE EPOXIDE HYDROLASE (SEH) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 WO claimed
WO-2010096722-A1 3-OXO-2, 3-DIHYDRO- [1,2, 4] TRIAZOLO [4, 3-A]PYRIDINES AS SOLUBLE EPOXIDE HYDROLASE (SEH) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 WO disclosed