SCHEMBL24675051

SCHEMBL24675051

Cc1cnc2c(c1)N(CC1(C#N)CC1)C(=O)C1CN(C)CCN21

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL24675030 1.00 KMT2A (0.31) KMT2AKDM4EUSP2ALDH1A1ALOX15
SCHEMBL24675033 0.87 KDM4E (0.30) KMT2AKDM4EUSP2ALDH1A1ALOX15
SCHEMBL24675050 0.85 ALDH1A1 (0.33) KMT2AKDM4EUSP2ALDH1A1ALOX15
SCHEMBL24675021 0.83 ALDH1A1 (0.36) KMT2AKDM4EUSP2ALDH1A1ALOX15
SCHEMBL24675046 0.82 PIK3CA (0.36) KMT2AKDM4EUSP2ALDH1A1ALOX15
SCHEMBL24675048 0.82 PIK3CA (0.36) KMT2AKDM4EUSP2ALDH1A1ALOX15
SCHEMBL24675037 0.81 CCKBR (0.36) KMT2AKDM4EUSP2ALDH1A1ALOX15
SCHEMBL24675023 0.81 CCKBR (0.36) KMT2AKDM4EUSP2ALDH1A1ALOX15
SCHEMBL24675025 0.81 CCKBR (0.36) KMT2AKDM4EUSP2ALDH1A1ALOX15
SCHEMBL24675073 0.80 ALDH1A1 (0.37) KMT2AKDM4EUSP2ALDH1A1ALOX15

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-2022223022-A1 FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL APPLICATION THEREOF 四川海思科制药有限公司 2022-10-27 WO disclosed