SCHEMBL29626229

SCHEMBL29626229

CCOC(=O)C1=NNCNC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
PDE4D Q08499 1/20 0.39
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
ADORA1 P30542 2/20 0.35
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL25408527 0.75 KDM4E (0.42) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL22917536 0.72 ADRA1D (0.42) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL12500825 0.67 KDM4E (0.41) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL22574714 0.67 GAA (0.45) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL21419870 0.66 KDM4E (0.40) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL16863288 0.66 KMT2A (0.40) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL23331324 0.64 KDM4E (0.39) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL21229304 0.64 CA12 (0.40) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL352579 0.64 CYP1A2 (0.54) KDM4EMEN1KMT2AMAPTPDE4D
SCHEMBL4827391 0.64 CYP1A2 (0.48) KDM4EMEN1KMT2AMAPTALOX15

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
CN-114456175-A Pyrrolotriazine compounds as TAM inhibitors 因赛特公司 2022-05-10 CN disclosed
CN-114456176-A Pyrrolotriazine compounds as TAM inhibitors 因赛特公司 2022-05-10 CN disclosed