SCHEMBL21593641

SCHEMBL21593641

CC(C)(C)OC(=O)N1CCC(Nc2nc(Cl)ncc2C(=O)O)C(F)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
USP30 Q70CQ3 5/20 0.40
BTK Q06187 1/20 0.39
NR3C1 P04150 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN11 Q06124 1/20 0.37
POLB P06746 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND3 P30281 1/20 0.37
CDK6 Q00534 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 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
SCHEMBL21591870 1.00 MEN1 (0.42) MEN1KMT2AUSP2HPGDNPSR1
SCHEMBL21591869 1.00 MEN1 (0.42) MEN1KMT2AUSP2HPGDNPSR1
SCHEMBL23452666 0.91 USP30 (0.46) MEN1KMT2AUSP2HPGDNPSR1
SCHEMBL21591923 0.88 SYK (0.47) MEN1KMT2AHPGDNPSR1SMN1; SMN2
SCHEMBL30736455 0.88 SYK (0.47) MEN1KMT2AHPGDNPSR1SMN1; SMN2
SCHEMBL31756147 0.88 USP30 (0.39) HPGDUSP30BTKPOLBCDK4
SCHEMBL31756059 0.88 USP30 (0.39) HPGDUSP30BTKPOLBCDK4
SCHEMBL21593725 0.87 USP30 (0.38) HPGDUSP30BTKCDK4CCND1
SCHEMBL21593643 0.86 BTK (0.51) MEN1KMT2AUSP2HPGDNPSR1
SCHEMBL21593611 0.86 BTK (0.51) MEN1KMT2AUSP2HPGDNPSR1

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-2019238929-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-12-19 WO disclosed