SCHEMBL28857418

SCHEMBL28857418

Cc1nc(N)c(N)c(-c2ccc(Cl)cc2C)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CRHR1 P34998 3/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
DPP4 P27487 3/20 0.40
GRM2 Q14416 1/20 0.40
NOTUM Q6P988 2/20 0.40
HSP90AB1 P08238 3/20 0.39
CYP3A4 P08684 1/20 0.39
HSP90AA1 P07900 2/20 0.39
ACHE P22303 1/20 0.37
CASP3 P42574 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
SCHEMBL10987104 0.74 CYP2D6 (0.50) SMN1; SMN2CRHR1NOTUMHSP90AB1CYP3A4
SCHEMBL17844127 0.72 NOTUM (0.44) HTTSMN1; SMN2CRHR1DPP4NOTUM
SCHEMBL21223570 0.71 GRM2 (0.43) HTTSMN1; SMN2DPP4GRM2NOTUM
SCHEMBL27916597 0.70 GRM2 (0.43) CRHR1DPP4GRM2NOTUMHSP90AB1
SCHEMBL3368354 0.70 DPP4 (0.69) HTTSMN1; SMN2DPP4CYP3A4
SCHEMBL29719717 0.70 NOTUM (0.53) GRM2NOTUMCYP3A4CASP3
SCHEMBL28144723 0.67 CCR9 (0.47) CRHR1NOTUMHSP90AB1CYP3A4
SCHEMBL12071484 0.66 NOTUM (0.50) GRM2NOTUMHSP90AB1CYP3A4CASP3
SCHEMBL4709705 0.66 NOTUM (0.47) HTTCRHR1GRM2NOTUMHSP90AB1
SCHEMBL13307709 0.66 NOTUM (0.44) HTTCRHR1GRM2NOTUMHSP90AB1

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
CN-107709326-A Reduce the P TAU of stress-induced Triazolopyridine and triazolo pyrimidine 巴克老龄问题研究所 2018-02-16 CN disclosed