SCHEMBL25612151

SCHEMBL25612151

Nc1ncnc2c1c(Br)cn2C1CCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 0.61
ABL1 P00519 9/20 0.61
EGFR P00533 9/20 0.61
ABL2 P42684 8/20 0.61
RET P07949 4/20 0.60
LCK P06239 3/20 0.60
KDR P35968 3/20 0.60
CSF1R P07333 2/20 0.60
IGF1R P08069 2/20 0.60
FGFR1 P11362 2/20 0.60
FLT1 P17948 2/20 0.60
FLT3 P36888 2/20 0.60
MST1R Q04912 2/20 0.60
NTRK3 Q16288 2/20 0.60
NTRK2 Q16620 2/20 0.60
ALK Q9UM73 2/20 0.60
FYN P06241 2/20 0.60
DAPK3 O43293 1/20 0.60
MAP4K4 O95819 1/20 0.60
PAK4 O96013 1/20 0.60

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
SCHEMBL18640804 0.94 SRC (0.59) SRCABL1EGFRABL2RET
SCHEMBL16769984 0.87 RET (0.58) SRCABL1EGFRABL2RET
SCHEMBL29780883 0.87 RET (0.58) SRCABL1EGFRABL2RET
Hydrochloric Acid SCHEMBL28341793 0.86 METTL3 (0.57) SRCABL1EGFRABL2RET
Hydrochloric Acid SCHEMBL29720924 0.86 METTL3 (0.57) SRCABL1EGFRABL2RET
SCHEMBL17085734 0.86 ADK (0.51) SRCABL1EGFRABL2RET
SCHEMBL870154 0.84 METTL3 (0.58) SRCABL1EGFRABL2RET
SCHEMBL869590 0.82 ADK (0.53) SRCABL1EGFRABL2RET
SCHEMBL16769992 0.82 ABL1 (0.63) SRCABL1EGFRABL2LCK
SCHEMBL400626 0.82 SRC (0.61) SRCABL1EGFRABL2RET

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-2023102228-A1 HETEROCYCLIC COMPOPUNDS AS GCN2 AND PERK KINASE INHIBITORS DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-08 WO disclosed