SCHEMBL26032299

SCHEMBL26032299

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.39
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
LMNA P02545 4/20 0.36
PRMT5 O14744 3/20 0.35
TP53 P04637 2/20 0.34
WDR77 Q9BQA1 1/20 0.33
GPR6 P46095 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
ASIC3 Q9UHC3 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
SCHEMBL22993429 0.90 POLB (0.35) POLBMAPTPRMT5WDR77GPR6
SCHEMBL26640563 0.82 POLB (0.38) POLBMAPTLMNAPRMT5TP53
SCHEMBL25975828 0.79 CDK4 (0.38) POLBMAPTADORA2AADORA1LMNA
SCHEMBL25975830 0.78 LMNA (0.40) POLBMAPTADORA2AADORA1LMNA
SCHEMBL25975832 0.78 PDCD1 (0.42) POLBMAPTADORA2AADORA1LMNA
SCHEMBL26640442 0.77 POLB (0.38) POLBMAPTLMNAPRMT5
SCHEMBL14853336 0.77 HRH3 (0.37) POLBADORA2AADORA1LMNACDK1
SCHEMBL26032152 0.76 PRMT5 (0.46) POLBPRMT5WDR77ASIC3
SCHEMBL14566143 0.75 CDK4 (0.41) POLBMAPTADORA2AADORA1LMNA
SCHEMBL14566140 0.75 ADORA2A (0.40) POLBMAPTADORA2AADORA1LMNA

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