SCHEMBL25975828

SCHEMBL25975828

Cc1cnc2c(c1)CN(CC(F)(F)F)CC2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
CDK6 Q00534 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
DRD2 P14416 1/20 0.36
LMNA P02545 4/20 0.35
POLB P06746 2/20 0.35
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
CCNC P24863 2/20 0.32
CDK8 P49336 2/20 0.32
MAPT P10636 6/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 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
SCHEMBL26640900 0.82 DRD2 (0.42) CDK4CDK2CDK6DRD2LMNA
SCHEMBL26032299 0.79 POLB (0.41) CDK4ADORA2AADORA1LMNAPOLB
SCHEMBL25975830 0.78 LMNA (0.40) ADORA2AADORA1DRD2LMNAPOLB
SCHEMBL25975832 0.78 PDCD1 (0.42) CDK4CDK2CDK6ADORA2AADORA1
SCHEMBL26639986 0.77 ALDH1A1 (0.36) CDK4CDK2CDK6DRD2LMNA
SCHEMBL14853336 0.77 HRH3 (0.37) CDK4ADORA2AADORA1DRD2LMNA
SCHEMBL16389169 0.76 DRD2 (0.41) DRD2POLBPRMT5CCNCCDK8
SCHEMBL26032153 0.76 MEN1 (0.40) DRD2POLBPRMT5CCNCCDK8
SCHEMBL14566140 0.75 ADORA2A (0.40) CDK4CDK2CDK6ADORA2AADORA1
SCHEMBL14566143 0.75 CDK4 (0.41) CDK4CDK2CDK6ADORA2AADORA1

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-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed