SCHEMBL29465797

SCHEMBL29465797

O=c1nc[nH]c2ccc(Cl)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.38
PIM2 Q9P1W9 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.35
PARP1 P09874 4/20 0.35
AURKA O14965 2/20 0.35
DAPK3 O43293 2/20 0.35
PRKD3 O94806 2/20 0.35
MAP4K4 O95819 2/20 0.35
RET P07949 2/20 0.35
IGF1R P08069 2/20 0.35
CLK2 P49760 2/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
PRKX P51817 2/20 0.35
BTK Q06187 2/20 0.35
TYRO3 Q06418 2/20 0.35

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
SCHEMBL2631905 1.00 PIM1 (0.38) PIM1PIM2LMNAMEN1POLB
SCHEMBL19153212 0.78 CCR1 (0.40) LMNAMEN1POLBKMT2APARP1
SCHEMBL19130906 0.74 PDE2A (0.36) LMNAMEN1POLBKMT2AKDM4E
SCHEMBL325051 0.73 PSMD14 (0.47) LMNAKDM4EPARP1DPP4
SCHEMBL29804853 0.72 KDM4E (0.53) LMNAKDM4EMAPK14SIRT2DPP4
SCHEMBL2105191 0.72 KDM4E (0.53) LMNAKDM4EMAPK14SIRT2DPP4
SCHEMBL31114004 0.72 ALDH1A1 (0.43) KMT2AKDM4EDYRK1ACDK9CDK5
SCHEMBL669572 0.70 PARP1 (0.50) PIM1PIM2KDM4EPARP1AURKA
SCHEMBL1477486 0.70 ALDH1A1 (0.41) PIM1PIM2LMNAPARP1SIRT2
SCHEMBL29434701 0.70 PARP1 (0.50) PIM1PIM2KDM4EPARP1AURKA

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-118852118-A Compounds that inhibit tyrosine kinase activity and pharmaceutical compositions comprising the same 德州大学系统董事会 2024-10-29 CN disclosed
CN-114026083-B Heterocyclic inhibitors of tyrosine kinases 德州大学系统董事会 2024-07-09 CN disclosed
EP-3962908-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE Board of Regents, The University of Texas System (US) 2022-03-09 EP disclosed