SCHEMBL23009459

SCHEMBL23009459

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 7/20 0.66
ALDH1A1 P00352 6/20 0.60
KMT2A Q03164 5/20 0.60
HPGD P15428 4/20 0.60
MEN1 O00255 4/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
SYK P43405 1/20 0.59
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 4/20 0.55
RXFP1 Q9HBX9 1/20 0.55
KDM4E B2RXH2 3/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53
BRCA1 P38398 1/20 0.53
CASP7 P55210 1/20 0.53
HBB P68871 1/20 0.53
HSD17B10 Q99714 1/20 0.53
EEF2K O00418 1/20 0.53
BRAF P15056 1/20 0.52

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
SCHEMBL31748948 0.90 KMT2A (0.66) LIMK1ALDH1A1KMT2AHPGDMEN1
SCHEMBL22982424 0.90 KMT2A (0.66) LIMK1ALDH1A1KMT2AHPGDMEN1
SCHEMBL19769226 0.89 KMT2A (0.74) LIMK1ALDH1A1KMT2AHPGDMEN1
SCHEMBL23009470 0.89 KMT2A (0.67) LIMK1ALDH1A1KMT2AHPGDMEN1
SCHEMBL22981925 0.88 MAPT (0.58) LIMK1ALDH1A1KMT2AHPGDMEN1
SCHEMBL29727500 0.86 MAPT (0.59) LIMK1ALDH1A1KMT2AHPGDMEN1
SCHEMBL23009440 0.86 MAPT (0.59) LIMK1ALDH1A1KMT2AHPGDMEN1
SCHEMBL4200490 0.83 LIMK1 (0.69) LIMK1ALDH1A1KMT2AHPGDMEN1
SCHEMBL23009461 0.83 LIMK1 (0.60) LIMK1ALDH1A1KMT2AMEN1SYK
SCHEMBL23009466 0.82 LIMK1 (0.68) LIMK1ALDH1A1KMT2AHPGDMEN1

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