SCHEMBL24936716

SCHEMBL24936716

O=C(O)c1cc(F)cn1Cc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.40
MAPK10 P53779 1/20 0.40
MARS1 P56192 1/20 0.39
KDM4A O75164 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NFATC1 O95644 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL25394318 0.84 LOXL2 (0.41) CCNCCDK8KDM4AKDM5AKDM4C
SCHEMBL24937330 0.83 MAPK10 (0.54) CCNCCDK8MEN1KMT2AUSP2
SCHEMBL16115375 0.77 CCNC (0.80) CCNCCDK8KDM4EGSK3BDYRK1A
SCHEMBL25374991 0.73 CHRM1 (0.41) CCNCCDK8KDM4AKDM5AKDM4C
SCHEMBL7488391 0.73 CYP11B1 (0.47) CCNCCDK8MEN1KMT2AMARS1
SCHEMBL24434943 0.73 KDM4E (0.49) CCNCCDK8MEN1KMT2AMARS1
SCHEMBL31596888 0.71 CHRM1 (0.41) CCNCCDK8KDM4AKDM5AKDM4C
SCHEMBL28187100 0.71 MAPT (0.48) MEN1KMT2AUSP2CNR2CYP1A2
SCHEMBL25392034 0.71 LOXL2 (0.40) CCNCCDK8MEN1KMT2AKDM4A
SCHEMBL2895007 0.71 CCR2 (0.70) KDM4EALDH1A1

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-117999256-A Protein secretion inhibitor 分子门生物科技公司 2024-05-07 CN disclosed
WO-2023010051-A1 PROTEIN SECRETION INHIBITORS GATE BIOSCIENCE, INC. (US) 2023-02-02 WO disclosed