SCHEMBL30107628

SCHEMBL30107628

CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3cc(-c4c[nH]c5ccccc45)ncn3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 9/20 1.00
PIP4K2B P78356 9/20 1.00
PIP4K2C Q8TBX8 2/20 1.00
PIKFYVE Q9Y2I7 1/20 1.00
CDK7 P50613 9/20 0.75
CCNH P51946 9/20 0.75
CDK5 Q00535 2/20 0.68
CDK5R1 Q15078 2/20 0.68
MNAT1 P51948 2/20 0.68
CCNT1 O60563 1/20 0.68
CCNK O75909 1/20 0.68
CDK1 P06493 1/20 0.68
CCNB1 P14635 1/20 0.68
CCNA2 P20248 1/20 0.68
CDK2 P24941 1/20 0.68
MAPK8 P45983 1/20 0.68
MAPK9 P45984 1/20 0.68
CDK9 P50750 1/20 0.68
CDK13 Q14004 1/20 0.68
MAP3K11 Q16584 1/20 0.68

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
SCHEMBL20087925 1.00 PIP4K2A (1.00) PIP4K2APIP4K2BPIP4K2CPIKFYVECDK7
SCHEMBL18340770 0.91 PIP4K2A (0.84) PIP4K2APIP4K2BPIP4K2CPIKFYVECDK7
SCHEMBL17710604 0.87 CDK7 (0.77) PIP4K2APIP4K2BPIP4K2CPIKFYVECDK7
SCHEMBL17710603 0.87 CDK7 (0.77) PIP4K2APIP4K2BPIP4K2CPIKFYVECDK7
SCHEMBL18313434 0.86 CDK7 (1.00) PIP4K2APIP4K2BPIP4K2CPIKFYVECDK7
SCHEMBL17710592 0.84 CDK7 (0.80) PIP4K2APIP4K2BPIP4K2CPIKFYVECDK7
SCHEMBL17710591 0.84 CDK7 (0.80) PIP4K2APIP4K2BPIP4K2CPIKFYVECDK7
SCHEMBL24558484 0.82 PIP4K2C (0.82) PIP4K2APIP4K2BPIP4K2CPIKFYVECDK7
SCHEMBL18340746 0.82 PIP4K2A (0.81) PIP4K2APIP4K2BPIP4K2CPIKFYVECDK7
SCHEMBL18340744 0.82 PIP4K2A (0.81) PIP4K2APIP4K2BPIP4K2CPIKFYVECDK7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230096781-A1 METHODS OF CONTROLLING BODYWEIGHT BY MODULATING PHOSPHATIDYLINOSITOL 5-PHOSPHATE 4-KINASE BETA ACTIVITY UNIVERSITY OF CINCINNATI (US) 2023-03-30 US claimed
EP-4114963-A1 METHODS OF CONTROLLING BODYWEIGHT BY MODULATING PHOSPHATIDYLINOSITOL 5-PHOSPHATE 4-KINASE BETA ACTIVITY University of Cincinnati (US) 2023-01-11 EP claimed
WO-2023150147-A1 METHOD OF PREVENTING HEARING LOSS THE JOHNS HOPKINS UNIVERSITY (US) 2023-08-10 WO disclosed
US-20230096781-A1 METHODS OF CONTROLLING BODYWEIGHT BY MODULATING PHOSPHATIDYLINOSITOL 5-PHOSPHATE 4-KINASE BETA ACTIVITY UNIVERSITY OF CINCINNATI (US) 2023-03-30 US disclosed
EP-4114963-A1 METHODS OF CONTROLLING BODYWEIGHT BY MODULATING PHOSPHATIDYLINOSITOL 5-PHOSPHATE 4-KINASE BETA ACTIVITY University of Cincinnati (US) 2023-01-11 EP disclosed