SCHEMBL4777901

SCHEMBL4777901

CCn1ncc2c(-c3cncc(C)c3)c(C#N)[c]nc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP11B2 P19099 2/20 0.34
CYP11B1 P15538 1/20 0.33
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL4776416 0.80 MAPT (0.42) MAPTTSHRRECQLNPSR1SIGMAR1
SCHEMBL4778781 0.76 MAPT (0.39) MAPTTSHRRECQLNPSR1SIGMAR1
SCHEMBL27662579 0.72 PDE10A (0.39) MAPTTSHRRECQLNPSR1SIGMAR1
SCHEMBL27662580 0.72 MAPT (0.36) MAPTTSHRRECQLNPSR1SIGMAR1
SCHEMBL4776347 0.72 CYP11B2 (0.38) MAPTTSHRRECQLNPSR1SIGMAR1
SCHEMBL4772232 0.71 MAPT (0.35) MAPTTSHRRECQLNPSR1SIGMAR1
SCHEMBL1818787 0.70 MAPT (0.40) MAPTTSHRRECQLNPSR1CYP11B2
SCHEMBL4778082 0.70 SLC22A12 (0.35) MAPTTSHRRECQLNPSR1SIGMAR1
SCHEMBL4776499 0.69 HTT (0.40) MAPTTSHRRECQLNPSR1SIGMAR1
SCHEMBL4776498 0.69 HTT (0.40) MAPTTSHRRECQLNPSR1SIGMAR1

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-1763528-B1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-11-26 EP disclosed