SCHEMBL24359166

SCHEMBL24359166

Cc1nc(N2CCCC2)nc2c1CCCC2

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.76
HPGD P15428 3/20 0.76
ALDH1A1 P00352 3/20 0.71
HTR2C P28335 1/20 0.50
IGF1R P08069 3/20 0.47
GBA1 P04062 2/20 0.43
ACHE P22303 2/20 0.42
APP P05067 1/20 0.42
BCHE P06276 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL10512778 0.86 HTR2C (0.68) KDM4EHPGDALDH1A1HTR2CIGF1R
SCHEMBL15780901 0.75 ALDH1A1 (0.46) KDM4EHPGDALDH1A1IGF1RCYP1A2
SCHEMBL11278582 0.75 HTR2C (0.58) KDM4EHPGDALDH1A1HTR2CGBA1
SCHEMBL15246924 0.73 ALDH1A1 (0.52) KDM4EHPGDALDH1A1GBA1CYP1A2
SCHEMBL11286794 0.71 HTR2C (0.62) KDM4EHPGDALDH1A1HTR2CGBA1
SCHEMBL13153128 0.71 KDM4E (0.63) KDM4EHPGDALDH1A1ACHEKMT2A
SCHEMBL24697999 0.70 KDM4E (0.49) KDM4EHPGDALDH1A1HTR2CIGF1R
SCHEMBL1707790 0.70 ALDH1A1 (0.49) KDM4EHPGDALDH1A1CYP1A2HTT
SCHEMBL18568567 0.70 KDM4E (0.61) KDM4EHPGDALDH1A1ACHEBCHE
SCHEMBL15207587 0.70 HRH1 (0.50) KDM4EHPGDALDH1A1CYP1A2HTT

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
WO-2022087624-A1 COMPOUNDS AS RAS INHIBITORS AND USES THEREOF BIOARDIS LLC (US) 2022-04-28 WO disclosed