SCHEMBL22912018

SCHEMBL22912018

Nc1ccc2c(N3CCCC3)nncc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.43
C1S P09871 5/20 0.42
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
NR4A1 P22736 1/20 0.38
PTK2B Q14289 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NUDT1 P36639 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GFER P55789 1/20 0.37
MAPK14 Q16539 1/20 0.37
PIK3CA P42336 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
SCHEMBL29596511 1.00 KMT2A (0.49) KMT2ALMNAHPGDC1SALDH1A1
SCHEMBL22440038 0.82 KMT2A (0.69) KMT2ALMNAHPGDALDH1A1MAPT
SCHEMBL29648045 0.82 KMT2A (0.69) KMT2ALMNAHPGDALDH1A1MAPT
SCHEMBL1268259 0.80 KMT2A (0.67) KMT2ALMNAHPGDALDH1A1MAPT
SCHEMBL2947965 0.80 HPGD (0.46) KMT2ALMNAHPGDALDH1A1MAPT
SCHEMBL22911991 0.77 HPGD (0.58) KMT2AHPGDALDH1A1POLBMAPT
SCHEMBL22440034 0.76 KMT2A (0.54) KMT2ALMNAHPGDALDH1A1MAPT
SCHEMBL31572208 0.76 KMT2A (0.54) KMT2ALMNAHPGDALDH1A1MAPT
SCHEMBL22911907 0.76 GRM4 (0.49) KMT2AALDH1A1POLBMAPTMEN1
SCHEMBL22911981 0.76 ALDH1A1 (0.47) KMT2ALMNAALDH1A1POLBMAPT

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-2021011796-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. (US) 2021-01-21 WO disclosed