SCHEMBL22911985

SCHEMBL22911985

O=CNc1ccc2c(N3CCCC3)nncc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
PDGFRB P09619 1/20 0.39
MAPK14 Q16539 3/20 0.38
HPGD P15428 1/20 0.37
LCK P06239 1/20 0.36
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
MAPK9 P45984 1/20 0.36
GRM4 Q14833 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NR4A1 P22736 1/20 0.33

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
SCHEMBL22911959 0.80 TGM2 (0.47) LMNAPDGFRBMAPK14LCKKIT
SCHEMBL22912012 0.80 GRM4 (0.52) GRM4
SCHEMBL22912018 0.75 KMT2A (0.49) KMT2ALMNAMAPK14HPGDSMN1; SMN2
SCHEMBL29596511 0.75 KMT2A (0.49) KMT2ALMNAMAPK14HPGDSMN1; SMN2
SCHEMBL2947965 0.73 HPGD (0.46) KMT2ALMNAHPGDSMN1; SMN2MEN1
SCHEMBL22911981 0.72 ALDH1A1 (0.47) KMT2ALMNASMN1; SMN2POLBGAA
SCHEMBL29648045 0.72 KMT2A (0.69) KMT2ALMNAPDGFRBHPGDSMN1; SMN2
SCHEMBL22440038 0.72 KMT2A (0.69) KMT2ALMNAPDGFRBHPGDSMN1; SMN2
SCHEMBL1268259 0.70 KMT2A (0.67) KMT2ALMNAPDGFRBHPGDSMN1; SMN2
SCHEMBL22440034 0.70 KMT2A (0.54) KMT2ALMNAPDGFRBHPGDSMN1; SMN2

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