SCHEMBL30309501

SCHEMBL30309501

COc1ccc(Nc2nc(Cl)ncc2CNc2c(C)nn(C)c2C)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 3/20 0.36
CDK6 Q00534 3/20 0.36
KDM4E B2RXH2 2/20 0.35
NMT1 P30419 4/20 0.35
CDK2 P24941 2/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 1/20 0.34
CCNK O75909 2/20 0.33
CDK9 P50750 2/20 0.33
CCNA2 P20248 1/20 0.33
PDE10A Q9Y233 4/20 0.33
THRB P10828 1/20 0.32
LYN P07948 1/20 0.32
SRC P12931 1/20 0.32
BTK Q06187 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL23978179 1.00 CCND3 (0.36) CCND3CDK6KDM4ENMT1CDK2
SCHEMBL23978363 0.82 CYP1A2 (0.39) CCND3CDK6TRPV4LMNAPDE10A
SCHEMBL30309493 0.82 CYP1A2 (0.39) CCND3CDK6TRPV4LMNAPDE10A
SCHEMBL30309599 0.81 LCK (0.41) CCND3CDK6LMNACCNKCDK9
SCHEMBL23978358 0.81 LCK (0.41) CCND3CDK6LMNACCNKCDK9
SCHEMBL23978116 0.80 TRPV4 (0.38) CCND3CDK6CDK2CCNE2CCNE1
SCHEMBL30309547 0.80 TRPV4 (0.38) CCND3CDK6CDK2CCNE2CCNE1
SCHEMBL23978127 0.77 TRPV4 (0.35) CCND3CDK6CDK2CCNE2CCNE1
SCHEMBL30309532 0.77 TRPV4 (0.35) CCND3CDK6CDK2CCNE2CCNE1
SCHEMBL23978385 0.76 TRPV4 (0.34) CCND3CDK6TRPV4ALDH1A1

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
EP-4143191-A2 BICYCLIC KINASE INHIBITORS AND USES THEREOF iOmx Therapeutics AG (DE) 2023-03-08 EP disclosed