SCHEMBL29954463

SCHEMBL29954463

COC(=O)c1ccnc2[nH]cc(C=O)c12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.50
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
AXL P30530 5/20 0.40
ATR Q13535 1/20 0.39
PSMD14 O00487 1/20 0.38
NUDT1 P36639 1/20 0.38
JAK2 O60674 1/20 0.38
NR4A2 P43354 3/20 0.37
CREBBP Q92793 1/20 0.37
MET P08581 1/20 0.35
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL1951472 1.00 MAP2K1 (0.50) MAP2K1PIM1PIM3KMT2AKDM4E
SCHEMBL29953241 0.89 MAP2K1 (0.54) MAP2K1PIM1PIM3KMT2AKDM4E
SCHEMBL14785281 0.87 NUDT1 (0.55) KMT2ANUDT1JAK2JAK3
SCHEMBL29951288 0.84 KMT2A (0.47) MAP2K1PIM1PIM3KMT2AKDM4E
SCHEMBL31632841 0.81 MAP2K1 (0.54) MAP2K1KDM4EALDH1A1GLAGAA
SCHEMBL9938173 0.79 MAP2K1 (0.52) MAP2K1PIM1PIM3KDM4EALDH1A1
SCHEMBL29951249 0.78 CCNT1 (0.51) KMT2AKDM4EALDH1A1
SCHEMBL29957196 0.76 KMT2A (0.56) MAP2K1PIM1PIM3KMT2AAXL
SCHEMBL27869093 0.76 KMT2A (0.43) MAP2K1PIM1PIM3KMT2AKDM4E
SCHEMBL29950881 0.75 NR4A2 (0.57) PIM1PIM3KDM4EALDH1A1NR4A2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed