SCHEMBL26619854

SCHEMBL26619854

CC(C)(C)C1CN(c2ccc(Nc3nc(NCc4ccccn4)ncc3F)cc2)CCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.47
▸ FLT3 P36888 2/20 0.45
▸ BTK Q06187 2/20 0.45
▸ SYK P43405 4/20 0.42
▸ ALK Q9UM73 1/20 0.41
▸ STAT6 P42226 4/20 0.41
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ EGFR P00533 2/20 0.40
▸ AURKA O14965 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39

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
SCHEMBL26619999 0.82 BRD4 (0.50) BRD4FLT3BTKSYKALK
SCHEMBL26619844 0.81 CCND3 (0.56) BRD4FLT3BTKSYKALK
SCHEMBL30515504 0.77 SYK (0.48) BRD4FLT3BTKSYKALK
SCHEMBL26619900 0.76 BRD4 (0.45) BRD4FLT3BTKSYKALK
SCHEMBL26619856 0.72 CTSC (0.39) BRD4ALK
SCHEMBL26619927 0.72 CHRM4 (0.38) BRD4BTKSYK
SCHEMBL16752980 0.70 ALK (0.78) ALK
Hydrochloric Acid SCHEMBL17838914 0.69 TNK2 (0.68) ALKJAK2
SCHEMBL16752971 0.69 ALK (0.55) ALK
SCHEMBL26619901 0.69 MAPK10 (0.40) BRD4ALK

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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