SCHEMBL31015693

SCHEMBL31015693

COCCNC(C)c1cc2c3c(ccc(F)c3c1)NC2=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.35
KDR P35968 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.32
ATG4B Q9Y4P1 3/20 0.32

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
SCHEMBL31108715 0.81 ATG4B (0.46) KDRALDH1A1ATG4B
SCHEMBL31015658 0.77 KDR (0.39) CDK2KDRALDH1A1KDM4EPOLB
SCHEMBL31015615 0.67 CDK2 (0.34) CDK2KDR
SCHEMBL32686674 0.66 OGA (0.40) KDRHPGD
SCHEMBL28099487 0.65 SLC6A4 (0.35) ALDH1A1
SCHEMBL28099484 0.65 SLC6A4 (0.35) ALDH1A1
SCHEMBL30872149 0.65 TGM2 (0.46) CDK2KDR
SCHEMBL26644600 0.65 TGM2 (0.46) CDK2KDR
SCHEMBL31015656 0.65 CDK2 (0.40) CDK2KDRPOLB
SCHEMBL31015666 0.65 CDK2 (0.40) CDK2KDRALDH1A1KDM4EHPGD

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-2024153246-A1 SUBSTITUTED TRICYCLIC COMPOUND AND USE THEREOF 海南先声再明医药股份有限公司 2024-07-25 WO disclosed