SCHEMBL7305763

SCHEMBL7305763

Cc1nn(CC(F)(F)F)c(N)c1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 9/20 0.36
GAA P10253 2/20 0.35
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 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
SCHEMBL7302490 0.80 TSHR (0.59) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL31078276 0.79 TSHR (0.35) TSHRALDH1A1MAPTNR1I2AHR
SCHEMBL7352542 0.77 TSHR (0.56) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL8552268 0.76 TSHR (0.55) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL2200208 0.75 TSHR (0.54) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL8552869 0.73 TSHR (0.52) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL8553278 0.73 TSHR (0.52) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL7303767 0.71 TSHR (1.00) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL18282951 0.71 TSHR (0.46) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL18641787 0.70 ADORA1 (0.45) TSHRMEN1KMT2AALDH1A1TDP1

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
EP-0636626-A1 Pyrazolopyrimidine Derivatives LABORATOIRES GLAXO SA (FR) 1995-02-01 EP disclosed