SCHEMBL26619895

SCHEMBL26619895

CC(C)CCN1CCN(c2ccc(Nc3nc(-n4c(N)nc5ccccc54)ncc3F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ BTK Q06187 2/20 0.41
▸ BRD4 O60885 3/20 0.40
▸ HTR2A P28223 3/20 0.40
▸ DRD3 P35462 1/20 0.39
▸ KDM1A O60341 3/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ ADRA2B P18089 2/20 0.39
▸ ADRA2C P18825 2/20 0.39
▸ EGFR P00533 1/20 0.38
▸ HTR2C P28335 3/20 0.37
▸ GLA P06280 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ CCND2 P30279 1/20 0.37

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
SCHEMBL30670373 1.00 SYK (0.41) SYKFLT3BTKBRD4HTR2A
SCHEMBL26620027 0.89 KDM1A (0.48) SYKFLT3BTKBRD4KDM1A
SCHEMBL30515659 0.89 KDM1A (0.48) SYKFLT3BTKBRD4KDM1A
SCHEMBL30670370 0.88 SYK (0.51) SYKFLT3BTKBRD4KDM1A
SCHEMBL26619878 0.88 SYK (0.51) SYKFLT3BTKBRD4KDM1A
SCHEMBL26620007 0.85 MKNK1 (0.47) SYKFLT3BTKBRD4HTR2A
SCHEMBL31388433 0.83 ROCK1 (0.48) SYKFLT3BTKHTR2AKDM1A
SCHEMBL26620001 0.83 ROCK1 (0.48) SYKFLT3BTKHTR2AKDM1A
Hydrochloric Acid SCHEMBL31388444 0.82 ROCK1 (0.47) SYKFLT3BTKHTR2AKDM1A
SCHEMBL26619860 0.78 CCND3 (0.49) SYKFLT3BTKBRD4EGFR

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 6 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
CN-116514779-A 2, 4-disubstituted-5-fluoropyrimidine derivative and preparation method and application thereof 中南大学 2023-08-01 — — CN claimed
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
CN-116514779-A 2, 4-disubstituted-5-fluoropyrimidine derivative and preparation method and application thereof 中南大学 2023-08-01 — — CN disclosed
Send feedback