SCHEMBL30944301

SCHEMBL30944301

CC12CC3CC(C)(C1)CC(C(=O)Nc1nc4ccc(C(F)(F)F)cc4s1)(C3)C2

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.58
CYP2D6 P10635 1/20 0.56
CSNK1D P48730 9/20 0.53
ACP1 P24666 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CNR1 P21554 1/20 0.48
LRRK2 Q5S007 1/20 0.47
CLK1 P49759 1/20 0.47

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
SCHEMBL28530647 1.00 DYRK1A (0.58) DYRK1ACYP2D6CSNK1DACP1NPC1
SCHEMBL30944318 1.00 DYRK1A (0.58) DYRK1ACYP2D6CSNK1DACP1NPC1
SCHEMBL28520781 0.92 DYRK1A (0.58) DYRK1ACYP2D6CSNK1DACP1NPC1
SCHEMBL30944359 0.92 DYRK1A (0.58) DYRK1ACYP2D6CSNK1DACP1NPC1
SCHEMBL31236381 0.87 NPC1 (0.66) DYRK1ANPC1RAB9ACNR1LRRK2
SCHEMBL30944285 0.86 DYRK1A (0.60) DYRK1ACYP2D6CSNK1DACP1NPC1
SCHEMBL28530536 0.86 DYRK1A (0.60) DYRK1ACYP2D6CSNK1DACP1NPC1
SCHEMBL30944384 0.86 DYRK1A (0.55) DYRK1AACP1NPC1RAB9ACNR1
SCHEMBL28530631 0.86 DYRK1A (0.55) DYRK1AACP1NPC1RAB9ACNR1
SCHEMBL30944399 0.86 NPC1 (0.49) DYRK1ACYP2D6CSNK1DNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118772080-A Antimycobacterial heterocyclic amides 克莱斯通公司 2024-10-15 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