SCHEMBL27971129

SCHEMBL27971129

N#Cc1cnc2ccc(N3CCCCC3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.46
MAP4K4 O95819 1/20 0.46
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
IP6K1 Q92551 3/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
PRKDC P78527 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
HPGDS O60760 1/20 0.40
C1S P09871 1/20 0.40

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
SCHEMBL28331701 0.89 TERT (0.58) TERTMAP4K4IP6K1CHRNB2CHRNA4
SCHEMBL28089049 0.86 MAPT (0.55) PDE3BPDE3APRKDCMEN1KMT2A
SCHEMBL15534193 0.76 DRD2 (0.52) TERTCHRNB2CHRNA4EGLN2HPGDS
SCHEMBL8870802 0.76 MAP4K4 (0.54) TERTMAP4K4PDE3BPDE3AIP6K1
SCHEMBL10737787 0.75 HPGDS (0.48) TERTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL30278776 0.75 MEN1 (0.51) TERTMEN1KMT2ASMN1; SMN2HPGDS
SCHEMBL27389897 0.74 IP6K1 (0.53) TERTMAP4K4PDE3BPDE3AIP6K1
SCHEMBL27970978 0.73 MGAM (0.51) TERTMAP4K4PDE3BPDE3AIP6K1
SCHEMBL27971212 0.71 MGAM (0.53) TERTPDE3BPDE3AIP6K1CHRNB2
SCHEMBL26429922 0.71 ALDH1A1 (0.47) MEN1KMT2ALMNASMN1; SMN2EGLN2

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-103906735-A Novel aryl-quinoline derivatives HOFFMANN LA ROCHE 2014-07-02 CN disclosed