SCHEMBL25898491

SCHEMBL25898491

CCn1cc(F)c2ccc(Cl)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
LMNA P02545 4/20 0.38
LRRK2 Q5S007 4/20 0.38
MEN1 O00255 3/20 0.38
ABCC4 O15439 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
CYP1A2 P05177 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NFKB1 P19838 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGER4 P35408 1/20 0.36
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
ENPP2 Q13822 1/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL26631326 0.80 KMT2A (0.38) KMT2ALMNALRRK2MEN1ABCC4
SCHEMBL30503576 0.80 KMT2A (0.38) KMT2ALMNALRRK2MEN1ABCC4
SCHEMBL25889328 0.78 KMT2A (0.36) KMT2ALMNALRRK2MEN1ABCC4
SCHEMBL30503542 0.77 MAT2A (0.33) LRRK2
SCHEMBL26631307 0.77 MAT2A (0.33) LRRK2
SCHEMBL29659291 0.76 DGAT1 (0.38) MAPT
SCHEMBL20455667 0.76 DGAT1 (0.38) MAPT
SCHEMBL4172164 0.72 LMNA (0.74) KMT2ALMNAMEN1ABCC4PKM
SCHEMBL25436963 0.70 KMT2A (0.32) KMT2ALMNAMEN1ABCC4PKM
SCHEMBL8703572 0.68 ALDH1A1 (0.62) KMT2ALMNAMEN1ABCC4PKM

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-2023138362-A1 WEE1 INHIBITOR, PREPARATION THEREFOR, AND USE THEREOF 江苏天士力帝益药业有限公司 2023-07-27 WO disclosed