SCHEMBL27400752

SCHEMBL27400752

NC(=O)c1nc2cccnc2c(-c2cnn3ccccc23)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.38
▸ IRAK4 Q9NWZ3 3/20 0.38
▸ EGFR P00533 1/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ PLK1 P53350 1/20 0.35
▸ CCNK O75909 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ CDK4 P11802 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ RET P07949 1/20 0.34
▸ CAMKK1 Q8N5S9 1/20 0.34
▸ CAMKK2 Q96RR4 1/20 0.34
▸ PRF1 P14222 1/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL27400754 0.78 KDM4E (0.40) EGFRKDM4EALDH1A1LIMK1PARP1
SCHEMBL27399247 0.75 MKNK1 (0.50) DYRK1AKDM4EALDH1A1TGFBR1LIMK1
SCHEMBL27399933 0.74 PRMT5 (0.41) DYRK1AIRAK4EGFRACVR1KDM4E
SCHEMBL27400748 0.74 CDK9 (0.39) DYRK1ACDK4CDK2GSK3BTGFBR1
SCHEMBL27400870 0.74 SYK (0.36) DYRK1AKDM4ELIMK1PARP1
SCHEMBL27399014 0.73 LCK (0.51) DYRK1ALIMK1PARP1
SCHEMBL27399603 0.73 MKNK1 (0.40) DYRK1AKDM4EALDH1A1LIMK1PARP1
SCHEMBL27400004 0.73 IKBKB (0.35) DYRK1ALIMK1PARP1
SCHEMBL27399335 0.73 PRMT5 (0.39) DYRK1APLK1CDK2KDM4ELIMK1
SCHEMBL27398651 0.72 LCK (0.37) DYRK1AKDM4ELIMK1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024112853-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-05-30 — — WO disclosed
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