SCHEMBL29565161

SCHEMBL29565161

COc1ncc(-c2cc(Cl)c(C#N)nn2)c(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
MDM2 Q00987 16/20 0.35
TP53 P04637 10/20 0.35
CYP1A2 P05177 1/20 0.35
METAP2 P50579 1/20 0.35
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL24394591 1.00 QPCT (0.38) QPCTQPCTLL3MBTL1MDM2TP53
SCHEMBL29565225 0.81 QPCT (0.40) QPCTQPCTLMDM2TP53CYP1A2
SCHEMBL22869317 0.81 QPCT (0.40) QPCTQPCTLMDM2TP53CYP1A2
SCHEMBL25840630 0.81 QPCT (0.34) QPCTQPCTLMDM2TP53CYP1A2
SCHEMBL29565730 0.79 PLAU (0.38) QPCTQPCTLL3MBTL1MDM2TP53
SCHEMBL24394615 0.79 PLAU (0.38) QPCTQPCTLL3MBTL1MDM2TP53
SCHEMBL24394484 0.77 HSD11B1 (0.33) QPCTQPCTLMDM2TP53CYP1A2
SCHEMBL29564739 0.77 HSD11B1 (0.33) QPCTQPCTLMDM2TP53CYP1A2
SCHEMBL24300631 0.77 MDM2 (0.41) MDM2TP53
SCHEMBL28728598 0.76 NT5E (0.36) QPCTQPCTLMDM2TP53

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-2022090711-A1 COMPOUNDS AS CD73 INHIBITORS AdoRx Therapeutics Limited (GB) 2022-05-05 WO disclosed