SCHEMBL29514718

SCHEMBL29514718

CN1CCN(c2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)NN)cc4)n3)cc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.78
FLT3 P36888 3/20 0.75
BTK Q06187 3/20 0.75
EGFR P00533 1/20 0.61
SYK P43405 4/20 0.60
CCNT1 O60563 1/20 0.55
CCNE1 P24864 1/20 0.55
CDK2 P24941 1/20 0.55
CDK9 P50750 1/20 0.55
ALK Q9UM73 1/20 0.55
STAT6 P42226 1/20 0.54
AURKA O14965 2/20 0.54
CDK4 P11802 1/20 0.54
CCND1 P24385 1/20 0.54

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
SCHEMBL28698547 1.00 BRD4 (0.78) BRD4FLT3BTKEGFRSYK
SCHEMBL28876191 0.91 BRD4 (0.79) BRD4FLT3BTKEGFRSYK
SCHEMBL29514530 0.91 FLT3 (0.71) BRD4FLT3BTKEGFRSYK
SCHEMBL28711445 0.91 FLT3 (0.71) BRD4FLT3BTKEGFRSYK
SCHEMBL28702032 0.90 BRD4 (0.65) BRD4FLT3BTKEGFRSYK
SCHEMBL28707617 0.90 BRD4 (0.64) BRD4FLT3BTKSYKSTAT6
SCHEMBL29514591 0.90 BRD4 (0.64) BRD4FLT3BTKSYKSTAT6
SCHEMBL29514555 0.89 SYK (0.76) BRD4FLT3BTKSYKSTAT6
SCHEMBL28718050 0.89 FLT3 (0.75) BRD4FLT3BTKEGFRSYK
SCHEMBL29514778 0.89 FLT3 (0.75) BRD4FLT3BTKEGFRSYK

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
CN-114181160-A 2, 4-dianilinopyrimidine-containing hydrazide derivative and preparation method and application thereof 南通大学 2022-03-15 CN claimed
CN-114181160-A 2, 4-dianilinopyrimidine-containing hydrazide derivative and preparation method and application thereof 南通大学 2022-03-15 CN disclosed