SCHEMBL7305823

SCHEMBL7305823

Cc1nn(Cc2ccncc2)c(N)c1C#N

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.76
KDM4E B2RXH2 5/20 0.47
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 3/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GFER P55789 1/20 0.40
SLC2A1 P11166 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7303767 0.87 TSHR (1.00) TSHRKDM4EMAPTALDH1A1HSD17B10
SCHEMBL7311114 0.85 TSHR (0.75) TSHRKDM4EMAPTALDH1A1HSD17B10
SCHEMBL7297521 0.76 TSHR (0.67) TSHRKDM4EMAPTALDH1A1HSD17B10
SCHEMBL7301245 0.74 TSHR (0.60) TSHRKDM4EMAPTALDH1A1HSD17B10
SCHEMBL7302490 0.74 TSHR (0.59) TSHRKDM4EMAPTALDH1A1HSD17B10
SCHEMBL16832559 0.73 KDM4E (0.73) TSHRKDM4EMAPTALDH1A1HSD17B10
SCHEMBL7352542 0.71 TSHR (0.56) TSHRKDM4EMAPTALDH1A1HSD17B10
SCHEMBL4355668 0.71 TSHR (0.73) TSHRKDM4EMAPTALDH1A1POLB
SCHEMBL17963384 0.70 POLB (0.71) KDM4EMAPTPOLBGAAMEN1
SCHEMBL8552268 0.70 TSHR (0.55) TSHRKDM4EMAPTALDH1A1POLB

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