SCHEMBL28524804

SCHEMBL28524804

Cc1c(NC(=O)CCNC(C)(C)C)c[nH]c1/C=C1\C(=O)Nc2ccc(F)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 15/20 1.00
PDGFRB P09619 3/20 0.71
KDR P35968 3/20 0.71
CSF1R P07333 2/20 0.71
FLT1 P17948 2/20 0.71
PDGFRA P16234 1/20 0.71
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
CHEK1 O14757 1/20 0.51
ABL1 P00519 1/20 0.51
LCK P06239 1/20 0.51

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
SCHEMBL28523147 0.90 FLT3 (1.00) FLT3PDGFRBKDRCSF1RFLT1
SCHEMBL30237472 0.88 FLT3 (1.00) FLT3PDGFRBKDRCSF1RFLT1
SCHEMBL28907830 0.88 FLT3 (1.00) FLT3PDGFRBKDRCSF1RFLT1
SCHEMBL28527661 0.86 FLT3 (1.00) FLT3PDGFRBKDRCSF1RFLT1
SCHEMBL28529100 0.85 FLT3 (1.00) FLT3PDGFRBKDRCSF1RFLT1
SCHEMBL28523144 0.85 FLT3 (1.00) FLT3PDGFRBKDRCSF1RFLT1
SCHEMBL28535279 0.84 FLT3 (1.00) FLT3PDGFRBKDRCSF1RFLT1
SCHEMBL30522734 0.83 FLT3 (0.75) FLT3PDGFRBKDRCSF1RFLT1
SCHEMBL30237515 0.83 FLT3 (1.00) FLT3PDGFRBKDRCSF1RFLT1
Hydrochloric Acid SCHEMBL30522741 0.82 FLT3 (0.74) FLT3PDGFRBKDRCSF1RFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112321568-A 4-methylpyrrole substituted indolone derivative, preparation method and medical application thereof 南京中医药大学 2021-02-05 CN claimed
CN-112321568-B 4-methylpyrrole substituted indolone derivative, preparation method and medical application thereof 南京中医药大学 2023-02-17 CN disclosed
CN-112321568-A 4-methylpyrrole substituted indolone derivative, preparation method and medical application thereof 南京中医药大学 2021-02-05 CN disclosed