SCHEMBL26620653

SCHEMBL26620653

Cc1cc(Nc2ncc(F)c(Nc3ccc(N4CCNCC4)cc3)n2)ccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.56
▸ PDGFRA P16234 1/20 0.56
▸ BRD4 O60885 3/20 0.56
▸ SYK P43405 6/20 0.55
▸ STK17A Q9UEE5 1/20 0.53
▸ EGFR P00533 1/20 0.53
▸ FLT3 P36888 2/20 0.52
▸ BTK Q06187 2/20 0.52
▸ STAT6 P42226 1/20 0.51
▸ MAPK8 P45983 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ GSK3A P49840 1/20 0.51
▸ GSK3B P49841 1/20 0.51
▸ ALK Q9UM73 2/20 0.51
▸ PTK2 Q05397 1/20 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
SCHEMBL26619897 0.84 BRD4 (0.55) BRD4SYKEGFRFLT3BTK
SCHEMBL30670378 0.83 AURKA (0.64) BRD4SYKEGFRFLT3BTK
SCHEMBL26619859 0.83 BRD4 (0.59) BRD4SYKSTK17AEGFRFLT3
SCHEMBL12277771 0.76 BRD4 (0.80) PDGFRBPDGFRABRD4STK17AEGFR
SCHEMBL30515505 0.74 SYK (0.57) PDGFRBPDGFRABRD4SYKSTK17A
SCHEMBL655104 0.73 GSK3A (0.62) SYKSTK17AEGFRFLT3BTK
SCHEMBL28705131 0.73 SYK (0.61) BRD4SYKEGFRFLT3BTK
SCHEMBL29389394 0.73 SYK (0.61) BRD4SYKEGFRFLT3BTK
SCHEMBL24507655 0.73 TGFBR1 (0.66) PDGFRBPDGFRABRD4SYKSTK17A
SCHEMBL4383043 0.72 ALK (0.60) SYKALKPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023213211-A9 2,4-DISUBSTITUTED-5-FLUOROPYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 长沙晶易医药科技股份有限公司 2024-03-21 — — WO claimed
WO-2023213211-A1 2,4-DISUBSTITUTED-5-FLUOROPYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 长沙晶易医药科技股份有限公司 2023-11-09 — — WO claimed
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