SCHEMBL23763333

SCHEMBL23763333

FC(F)(F)Oc1ccnc(Nc2cc(N3CCCCC3)nc(-c3cccnc3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
GALR2 O43603 3/20 0.47
PDE10A Q9Y233 1/20 0.43
GALR1 P47211 1/20 0.42
KDM6B O15054 2/20 0.41
KDM2B Q8NHM5 2/20 0.41
NR1I2 O75469 1/20 0.41
CHRNA1 P02708 1/20 0.41
MAOB P27338 1/20 0.41
OPRM1 P35372 1/20 0.41
AHR P35869 1/20 0.41
AVPR1A P37288 1/20 0.41
OPRK1 P41145 1/20 0.41
PDE4B Q07343 1/20 0.41
SCN5A Q14524 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
PHF8 Q9UPP1 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41

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
SCHEMBL29968113 1.00 HDAC1 (0.50) HDAC1HDAC6GALR2PDE10AGALR1
SCHEMBL23753909 0.91 ABL1 (0.48) HDAC1HDAC6PDE10AALDH1A1CYP1A2
SCHEMBL29967980 0.91 ABL1 (0.48) HDAC1HDAC6PDE10AALDH1A1CYP1A2
SCHEMBL23763018 0.89 KARS1 (0.41) HDAC1HDAC6KDM6BKDM2BNR1I2
SCHEMBL29968202 0.88 HDAC1 (0.40) HDAC1HDAC6GALR2KDM6BKDM2B
SCHEMBL23763067 0.88 HDAC1 (0.40) HDAC1HDAC6GALR2KDM6BKDM2B
SCHEMBL23763310 0.87 ABL1 (0.39) HDAC1HDAC6GALR2PDE10AKDM6B
SCHEMBL23763041 0.87 HDAC1 (0.44) HDAC1HDAC6KDM6BKDM2BNR1I2
SCHEMBL23763059 0.87 NPY5R (0.38) HDAC1HDAC6GALR2KDM6BKDM2B
SCHEMBL29968552 0.87 ABL1 (0.39) HDAC1HDAC6GALR2PDE10AKDM6B

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
CN-115151534-A Inhibitors of interleukin-1 receptor-related kinase (IRAK)/FMS-like receptor tyrosine kinase (FLT 3), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2022-10-04 CN claimed
CN-115151534-B Inhibitors of interleukin-1 receptor associated kinase (IRAK)/FMS-like receptor tyrosine kinase (FLT 3), pharmaceutical products thereof and methods of use thereof 南京药石科技股份有限公司 2024-02-06 CN disclosed
CN-115151534-A Inhibitors of interleukin-1 receptor-related kinase (IRAK)/FMS-like receptor tyrosine kinase (FLT 3), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2022-10-04 CN disclosed
WO-2021159993-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR ASSOCIATED KINASE (IRAK) /FMS-LIKE RECEPTOR TYROSINE KINASE (FLT3), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING) , INC. (CN) 2021-08-19 WO disclosed