SCHEMBL22653180

SCHEMBL22653180

Cc1cc2nc3c(=O)n(CCNC(=O)OC(C)(C)C)c(=O)nc-3n(CC[N+](C)(C)CCNC(=O)OC(C)(C)C)c2cc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 10/20 0.42
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SCD O00767 2/20 0.37
▸ DYRK1A Q13627 1/20 0.34
▸ STING1 Q86WV6 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 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
Bromide SCHEMBL15901561 0.99 BRD4 (0.42) BRD4KDM4EMEN1USP2MAPT
SCHEMBL15901081 0.92 BRD4 (0.48) BRD4KDM4EMEN1USP2MAPT
SCHEMBL15908088 0.82 KDM4E (0.37) KDM4EMEN1USP2MAPTIDO1
SCHEMBL16476439 0.81 KDM4E (0.42) KDM4EMEN1USP2MAPTIDO1
Bromide SCHEMBL17254518 0.80 KDM4E (0.42) KDM4EMEN1USP2MAPTIDO1
SCHEMBL15908087 0.78 KDM4E (0.40) KDM4EMEN1USP2MAPTIDO1
SCHEMBL15908095 0.77 KDM4E (0.43) KDM4EMEN1USP2MAPTIDO1
SCHEMBL19405681 0.77 MEN1 (0.65) BRD4KDM4EMEN1USP2MAPT
SCHEMBL15908041 0.76 MEN1 (0.43) KDM4EMEN1USP2MAPTIDO1
SCHEMBL15908133 0.76 CYP1A2 (0.40) KDM4EMEN1USP2MAPTIDO1

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-3838902-A1 10H-BENZO[G]PTERIDINE-2,4-DIONE DERIVATIVES, METHOD FOR PRODUCING SAME AND USE OF SAME TriOptoTec GmbH (DE) 2021-06-23 — — EP disclosed
EP-2723742-B1 10H-BENZO[G]PTERIDINE-2,4-DIONE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF TRIOPTOTEC GMBH (DE) 2020-11-18 — — EP disclosed
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