SCHEMBL29525920

SCHEMBL29525920

CCSc1nn2c(-c3cccc(C(F)(F)F)c3)ccnc2c1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ BRAF P15056 5/20 0.37
▸ GRIN1 Q05586 6/20 0.36
▸ GRIN2B Q13224 6/20 0.36
▸ KIT P10721 2/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ DYRK3 O43781 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ DYRK2 Q92630 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ FYN P06241 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34

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
SCHEMBL29526201 0.92 MAPT (0.37) KDM4EBRAFGRIN1GRIN2BFYN
SCHEMBL22775558 0.88 MAPT (0.37) KDM4E
SCHEMBL29525204 0.88 NPSR1 (0.33) KDM4E
SCHEMBL29525293 0.88 MAPT (0.37) KDM4E
SCHEMBL22776008 0.88 NPSR1 (0.33) KDM4E
SCHEMBL22775899 0.87 NPSR1 (0.40) KDM4ECDK2
SCHEMBL29525276 0.87 NPSR1 (0.40) KDM4ECDK2
SCHEMBL29525322 0.86 KDM4E (0.42) KDM4EBRAFGRIN1GRIN2BMAPK14
SCHEMBL22775926 0.86 NPSR1 (0.33) KDM4EBRAF
SCHEMBL29525455 0.86 NPSR1 (0.33) KDM4EBRAF

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-3983411-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI Industries Ltd. (IN) 2022-04-20 — — EP claimed
EP-3983411-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI Industries Ltd. (IN) 2022-04-20 — — EP disclosed
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