SCHEMBL29548907

SCHEMBL29548907

COc1cc2cnccc2cc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
CLK1 P49759 3/20 0.52
CDK5 Q00535 3/20 0.52
DYRK1A Q13627 3/20 0.52
CDK5R1 Q15078 3/20 0.52
CLK2 P49760 1/20 0.52
CLK3 P49761 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
IKBKB O14920 1/20 0.51
CHUK O15111 1/20 0.51
KDM4E B2RXH2 4/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49

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
SCHEMBL17913502 1.00 MKNK1 (0.53) MKNK1MKNK2CLK1CDK5DYRK1A
SCHEMBL17913360 1.00 MKNK1 (0.53) MKNK1MKNK2CLK1CDK5DYRK1A
SCHEMBL30497341 0.90 KDM4E (0.46) MKNK1MKNK2CLK1CDK5DYRK1A
SCHEMBL18427749 0.84 IRAK4 (0.69) MKNK1MKNK2IRAK4
SCHEMBL30196438 0.84 IRAK4 (0.69) MKNK1MKNK2IRAK4
SCHEMBL30497329 0.84 IRAK4 (0.46) MKNK1MKNK2CLK1CDK5DYRK1A
SCHEMBL17142212 0.81 NPC1 (0.56) KDM4ENPC1MAPTTSHRRAB9A
SCHEMBL8584230 0.80 ALDH1A1 (0.71) KDM4ENPC1MAPTTSHRRAB9A
SCHEMBL1271246 0.80 MAOA (0.59) IKBKBCHUKKDM4EMAPTSMN1; SMN2
SCHEMBL9881345 0.80 SIRT3 (0.59) MKNK1MKNK2CLK1CDK5DYRK1A

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
EP-3536685-B1 BICYCLIC-FUSED HETEROARYL OR ARYL COMPOUNDS AND THEIR USE AS IRAK4 INHIBITORS PFIZER (US) 2022-02-16 EP claimed
WO-2024194756-A1 MODULATING THE INNATE IMMUNITY OF RNA PFIZER INC. (US) 2024-09-26 WO disclosed
EP-4125900-A1 METHODS OF TREATING CORONAVIRUS DISEASE 2019 Pfizer Inc. (US) 2023-02-08 EP disclosed