SCHEMBL9705994

SCHEMBL9705994

CCCCc1nc2nc(NCc3ccccc3)ncc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC3 O15379 2/20 0.42
HTT P42858 2/20 0.42
POLA1 P09884 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9704936 0.83 POLA1 (0.41) POLA1
SCHEMBL8657853 0.81 ATM (0.42) LMNAMEN1KMT2AHDAC3HTT
SCHEMBL9705991 0.81 PARP1 (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11267581 0.78 ATM (0.48) LMNAHDAC3HDAC1HDAC2RAB9A
SCHEMBL8652065 0.73 DRD2 (0.46) MEN1POLBKMT2AHTTALDH1A1
SCHEMBL8653854 0.72 RAB9A (0.50) HDAC3ALDH1A1MAPTHPGDHDAC1
SCHEMBL9704732 0.72 PAK1 (0.53) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL14786117 0.72 NPSR1 (0.61) LMNAMEN1POLBKMT2AHTT
SCHEMBL8651538 0.72 ATM (0.48) HDAC3HDAC1HDAC2RAB9ANPSR1
SCHEMBL16171 0.71 CDK2 (0.64) PDE4APDE4BPDE4CPDE4DLMNA

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-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed