SCHEMBL7258784

SCHEMBL7258784

Nc1ncc2ccccc2c1C#Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.45
GRM4 Q14833 1/20 0.42
MAPT P10636 2/20 0.41
APP P05067 1/20 0.40
ADORA2A P29274 2/20 0.39
GRM5 P41594 4/20 0.39
KDM4E B2RXH2 2/20 0.39
GPR3 P46089 1/20 0.39
NOS1 P29475 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL17459806 0.88 FLT3 (0.47) FLT3MAPTKDM4EGPR3NOS1
SCHEMBL19006332 0.85 FLT3 (0.43) FLT3GRM4MAPTKDM4EGPR3
SCHEMBL17469773 0.83 FLT3 (0.52) FLT3GRM5SMN1; SMN2
SCHEMBL17469783 0.83 FLT3 (0.52) FLT3GRM5F12PLAUASIC3
SCHEMBL17469805 0.81 FLT3 (0.71) FLT3MAPTGRM5KDM4EGPR3
SCHEMBL21152882 0.80 FLT3 (0.39) FLT3APPCYP1A2CYP2C9CYP2C19
SCHEMBL7258744 0.77 KDM4E (0.42) MAPTKDM4EGPR3NOS1NPC1
SCHEMBL23599649 0.77 FLT3 (0.52) FLT3GRM5NOS1F12PLAU
SCHEMBL7253831 0.75 KDM4E (0.46) FLT3KDM4EGPR3NOS1MEN1
SCHEMBL28392347 0.72 APP (0.52) MAPTAPPADORA2AGRM5KDM4E

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-2003024931-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-27 WO claimed
WO-2003024931-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-27 WO disclosed