SCHEMBL29590409

SCHEMBL29590409

O=C(Nc1cccc(C(=O)c2ccc3ncc(N4CCCC4)nc3c2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ BRAF P15056 10/20 0.50
▸ RAF1 P04049 6/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ APAF1 O14727 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ KCNK3 O14649 1/20 0.48
▸ KCNQ3 O43525 1/20 0.48
▸ KCNQ2 O43526 1/20 0.48
▸ KCNE1 P15382 1/20 0.48
▸ KCNQ1 P51787 1/20 0.48
▸ KCNQ5 Q9NR82 1/20 0.48

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
SCHEMBL14783762 1.00 MAPT (0.54) MAPTBRAFRAF1MEN1KMT2A
SCHEMBL14782951 0.92 BRAF (0.59) BRAFRAF1KDM4E
SCHEMBL29590391 0.92 MEN1 (0.47) MAPTBRAFRAF1MEN1KMT2A
SCHEMBL14783172 0.92 MEN1 (0.47) MAPTBRAFRAF1MEN1KMT2A
SCHEMBL14783338 0.88 MAPT (0.60) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL29590480 0.88 MAPT (0.60) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL14783169 0.88 MAPT (0.49) MAPTBRAF
SCHEMBL14786483 0.88 MAPT (0.44) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL29592435 0.88 MAPT (0.49) MAPTBRAF
SCHEMBL28233924 0.88 MAPT (0.49) MAPTMEN1KMT2AKDM4EALDH1A1

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-115403531-A Chemical entities, compositions, and methods as kinase inhibitors 润新生物公司 2022-11-29 — — CN disclosed
CN-108794411-B Certain chemical entities, compositions, and methods 润新生物公司 2022-06-07 — — CN disclosed
Send feedback