SCHEMBL7359803

SCHEMBL7359803

N#CCc1c[nH]c2ccc(-c3ccccn3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.55
PIM1 P11309 3/20 0.46
PIM3 Q86V86 3/20 0.46
CHEK1 O14757 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
PRMT5 O14744 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
WDR77 Q9BQA1 1/20 0.40
MPO P05164 1/20 0.39
SLC6A4 P31645 1/20 0.39
MAPT P10636 2/20 0.37
ICMT O60725 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6574193 0.82 CSNK2A1 (0.61) CSNK2A1MPOSLC6A4ICMT
SCHEMBL7326496 0.80 HTR1D (0.57) MPOMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL7331855 0.77 HTR1D (0.60) MPOSLC6A4CYP1A2CYP2D6CYP2C9
SCHEMBL7325786 0.76 CSNK2A1 (0.55) CSNK2A1GPR84MPOSLC6A4MAPT
SCHEMBL8868448 0.75 CSNK2A1 (0.53) CSNK2A1GPR84MAPTCYP1A2CYP2D6
SCHEMBL7335081 0.75 CSNK2A1 (0.60) CSNK2A1GPR84MPOSLC6A4MAPT
SCHEMBL7327065 0.75 CSNK2A1 (0.60) CSNK2A1GPR84MPOSLC6A4ICMT
SCHEMBL7326928 0.75 CSNK2A1 (0.56) CSNK2A1GPR84MPOSLC6A4ICMT
SCHEMBL10582041 0.74 GRM4 (0.51) CSNK2A1
SCHEMBL31370163 0.73 KMT2A (0.62) MPOSLC6A4MAPTICMTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674620-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1994014771-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed