SCHEMBL30944285

SCHEMBL30944285

CC12CCCC(C(=O)Nc3nc4ccc(C(F)(F)F)cc4s3)(CCC1)C2

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.60
CSNK1D P48730 14/20 0.55
CYP2D6 P10635 1/20 0.55
ACP1 P24666 1/20 0.53
LRRK2 Q5S007 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL28530536 1.00 DYRK1A (0.60) DYRK1ACSNK1DCYP2D6ACP1LRRK2
SCHEMBL30944318 0.86 DYRK1A (0.58) DYRK1ACSNK1DCYP2D6ACP1LRRK2
SCHEMBL30944301 0.86 DYRK1A (0.58) DYRK1ACSNK1DCYP2D6ACP1LRRK2
SCHEMBL28530647 0.86 DYRK1A (0.58) DYRK1ACSNK1DCYP2D6ACP1LRRK2
SCHEMBL30944290 0.85 DYRK1A (0.62) DYRK1ACSNK1DACP1NPC1RAB9A
SCHEMBL28520293 0.85 DYRK1A (0.62) DYRK1ACSNK1DACP1NPC1RAB9A
SCHEMBL30944286 0.84 DYRK1A (0.58) DYRK1ACYP2D6NPC1RAB9A
SCHEMBL30944291 0.84 ADORA1 (0.58) DYRK1ACSNK1DCYP2D6LRRK2NPC1
SCHEMBL28530522 0.84 ADORA1 (0.58) DYRK1ACSNK1DCYP2D6LRRK2NPC1
SCHEMBL28512789 0.84 DYRK1A (0.58) DYRK1ACYP2D6NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3758697-B1 NOVEL ANTIMYCOBACTERIAL HETEROCYCLIC AMIDES CRESTONE INC (US) 2024-10-16 EP claimed
CN-112423746-B Novel antimycobacterial heterocyclic amides 克莱斯通公司 2024-06-28 CN claimed
CN-118772080-A Antimycobacterial heterocyclic amides 克莱斯通公司 2024-10-15 CN disclosed
CN-112423746-B Novel antimycobacterial heterocyclic amides 克莱斯通公司 2024-06-28 CN disclosed