SCHEMBL5545569

SCHEMBL5545569

CCN1CCCC1CNc1nc(C(C)(C)C)cn2c(=O)[nH]nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.41
PIM1 P11309 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
ACHE P22303 1/20 0.37
VNN1 O95497 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
ACKR3 P25106 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A4 P31645 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
SCHEMBL5549024 0.85 KAT2B (0.41) LMNA
SCHEMBL5549262 0.81 PRKCQ (0.34) PIM1
SCHEMBL5548632 0.80 KDM1A (0.40) KMT2AACKR3HRH3
SCHEMBL5543674 0.79 PRMT5 (0.42) DRD2ATMADRA2BADRA2CDRD3
SCHEMBL5549427 0.75 JAK2 (0.31)
SCHEMBL5550007 0.75 KAT2B (0.39) CYP3A4TSHRKMT2A
SCHEMBL5545643 0.75 GSK3B (0.34)
SCHEMBL5548887 0.74 KAT2B (0.40) IRAK4CYP3A4TSHRACHEKMT2A
SCHEMBL5548952 0.74 CNR2 (0.36)
SCHEMBL5548954 0.74 CNR2 (0.36)

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-1678180-B1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2007-08-08 EP disclosed