SCHEMBL20206136

SCHEMBL20206136

CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(NC(=O)c3cccc(Br)n3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.45
ACKR3 P25106 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GRM5 P41594 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
GAA P10253 1/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
MAPK14 Q16539 1/20 0.39
BCL6 P41182 1/20 0.39

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
SCHEMBL24021477 0.92 GRM5 (0.46) NAMPTACKR3KDM4EMEN1KMT2A
SCHEMBL20206254 0.92 GRM5 (0.46) NAMPTACKR3KDM4EMEN1KMT2A
SCHEMBL20206222 0.89 ACKR3 (0.47) NAMPTACKR3KDM4EMEN1KMT2A
SCHEMBL20206152 0.85 NAMPT (0.59) NAMPTKDM4EMEN1KMT2AGRM5
SCHEMBL21328550 0.84 MEN1 (0.47) KDM4EMEN1KMT2ARXFP1GRM5
SCHEMBL21328551 0.84 MEN1 (0.47) KDM4EMEN1KMT2ARXFP1GRM5
SCHEMBL20206134 0.83 KMT2A (0.58) NAMPTKDM4EMEN1KMT2ARXFP1
SCHEMBL20206287 0.83 BTK (0.47) NAMPTACKR3KDM4EMEN1KMT2A
SCHEMBL20206285 0.83 BTK (0.47) NAMPTACKR3KDM4EMEN1KMT2A
SCHEMBL30165290 0.83 BTK (0.47) NAMPTACKR3KDM4EMEN1KMT2A

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
EP-3544970-B1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-11-17 EP disclosed
WO-2018098367-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 WO disclosed