SCHEMBL25840630

SCHEMBL25840630

COc1ncc(-c2cc([C@H]3C[C@@H]3C)c(C#N)nn2)c(OC)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.34
QPCTL Q9NXS2 1/20 0.34
PDE10A Q9Y233 4/20 0.34
MTOR P42345 1/20 0.34
MDM2 Q00987 7/20 0.32
TP53 P04637 5/20 0.32
CYP1A2 P05177 1/20 0.32
METAP2 P50579 1/20 0.32
PPARD Q03181 1/20 0.31
ACP1 P24666 1/20 0.30

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
SCHEMBL29467441 0.88 NT5E (0.36) QPCTQPCTLMTORMDM2TP53
SCHEMBL28728598 0.88 NT5E (0.36) QPCTQPCTLMTORMDM2TP53
SCHEMBL24300262 0.87 PPARD (0.33) QPCTQPCTLPDE10AMTORMDM2
SCHEMBL26527620 0.87 TP53 (0.34) QPCTQPCTLPDE10AMTORMDM2
SCHEMBL28728563 0.86 NT5E (0.36) QPCTQPCTLMTORMDM2TP53
SCHEMBL24300261 0.86 PDE10A (0.37) QPCTQPCTLPDE10AMTORMDM2
SCHEMBL25840626 0.86 PDE10A (0.37) QPCTQPCTLPDE10AMTORMDM2
SCHEMBL24300747 0.86 ACP1 (0.34) QPCTQPCTLPDE10AMTORMDM2
SCHEMBL24300631 0.84 MDM2 (0.41) MDM2TP53
SCHEMBL24300197 0.84 SQOR (0.34) MDM2TP53

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
EP-4212524-A1 CD73 INHIBITOR AND APPLICATION THEREOF IN MEDICINE Betta Pharmaceuticals Co., Ltd (CN) 2023-07-19 EP disclosed