SCHEMBL23009461

SCHEMBL23009461

NC(=O)c1sc2nc(-c3cccnc3)cc(C(F)F)c2c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 6/20 0.60
ALDH1A1 P00352 2/20 0.54
EEF2K O00418 1/20 0.53
BRAF P15056 1/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
IKBKB O14920 2/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 6/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL22981954 0.90 MEN1 (0.56) LIMK1ALDH1A1EEF2KBRAFPDE4A
SCHEMBL29924766 0.90 MEN1 (0.56) LIMK1ALDH1A1EEF2KBRAFPDE4A
SCHEMBL4200490 0.83 LIMK1 (0.69) LIMK1ALDH1A1EEF2KBRAFPDE4A
SCHEMBL23009459 0.83 LIMK1 (0.66) LIMK1ALDH1A1EEF2KBRAFPDE4A
SCHEMBL4188528 0.79 LIMK1 (0.63) LIMK1ALDH1A1EEF2KBRAFPDE4A
SCHEMBL22981955 0.79 LIMK1 (0.38) LIMK1ALDH1A1EEF2KBRAFPDE4A
SCHEMBL4200595 0.77 LIMK1 (0.70) LIMK1ALDH1A1EEF2KBRAFPDE4A
SCHEMBL4186923 0.76 IKBKB (0.78) LIMK1ALDH1A1EEF2KBRAFPDE4A
SCHEMBL431577 0.76 LIMK1 (1.00) LIMK1ALDH1A1EEF2KLMNACYP1A2
SCHEMBL22982424 0.73 KMT2A (0.66) LIMK1ALDH1A1LMNAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021028919-A1 METHODS AND COMPOSITIONS FOR PREVENTING SKIN TOXICITIES CAUSED BY BIOLOGICAL TARGETED CANCER DRUGS HADASIT MEDICAL RESEARCH SERVICES & DEVELOPMENT LIMITED (IL) 2021-02-18 WO disclosed