SCHEMBL30670372

SCHEMBL30670372

CC(C)(C)N1CCN(c2ccc(Nc3nc(Nc4nc5ccccc5[nH]4)ncc3F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.52
▸ EGFR P00533 3/20 0.50
▸ BRD4 O60885 6/20 0.49
▸ FLT3 P36888 3/20 0.47
▸ BTK Q06187 3/20 0.47
▸ AURKA O14965 2/20 0.47
▸ AURKB Q96GD4 2/20 0.47
▸ ALK Q9UM73 2/20 0.44
▸ PLK4 O00444 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ INSR P06213 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ FES P07332 1/20 0.42
▸ CSF1R P07333 1/20 0.42

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
SCHEMBL26620641 0.85 CCND3 (0.56) SYKEGFRBRD4FLT3BTK
SCHEMBL2968000 0.70 EGFR (0.61) EGFRAURKAALKJAK2INSR
SCHEMBL657421 0.69 SYK (1.00) SYKEGFRFLT3BTKAURKA
SCHEMBL31684789 0.69 SYK (0.71) SYKEGFRBRD4FLT3BTK
SCHEMBL655906 0.69 SYK (0.65) SYKEGFRBRD4FLT3BTK
SCHEMBL30515505 0.68 SYK (0.57) SYKEGFRBRD4FLT3BTK
SCHEMBL26619987 0.67 CCND3 (0.59) SYKBRD4FLT3BTKALK
SCHEMBL26394684 0.67 EGFR (0.79) SYKEGFRBRD4FLT3BTK
SCHEMBL29793826 0.67 EGFR (0.79) SYKEGFRBRD4FLT3BTK
SCHEMBL15652893 0.67 JAK2 (0.45) SYKJAK2MEN1KMT2A

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 disclosed
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 disclosed
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