SCHEMBL27767056

SCHEMBL27767056

Nc1nc(Cl)nc2c1nc(Br)n2C1CCC(CO)O1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ PDE3A Q14432 2/20 0.41
▸ PNP P00491 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.36
▸ ALB P02768 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ADORA3 P0DMS8 8/20 0.36
▸ ADORA2A P29274 7/20 0.36
▸ ADORA1 P30542 6/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADORA2B P29275 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ NADK O95544 1/20 0.32

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
SCHEMBL29328691 0.81 ADORA2A (0.56) LMNAPDE4DRXFP1ADORA3ADORA2A
SCHEMBL29709122 0.81 ADORA2A (0.56) LMNAPDE4DRXFP1ADORA3ADORA2A
SCHEMBL8146897 0.79 PDE4D (0.63) LMNAPDE4DPDE3APNPTP53
SCHEMBL8146893 0.79 PDE4D (0.63) LMNAPDE4DPDE3APNPTP53
SCHEMBL10266133 0.77 PNP (0.48) LMNAPNPALDH1A1ALBMAPK1
SCHEMBL12028110 0.77 YTHDC1 (0.42) LMNAPDE4DPDE3APNPTP53
SCHEMBL30694424 0.76 LMNA (0.65) LMNAPDE4DPDE3APNPTP53
SCHEMBL8124562 0.76 LMNA (0.65) LMNAPDE4DPDE3APNPTP53
SCHEMBL30149930 0.76 LMNA (0.38) LMNAPDE4DPDE3APNPTP53
SCHEMBL172618 0.76 LMNA (0.65) LMNAPDE4DPDE3APNPTP53

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-101410407-A Substituted adenines and the uses thereof ASTRAZENECA AB (SE) 2009-04-15 — — CN disclosed
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