SCHEMBL24558484

SCHEMBL24558484

O=C(O)c1ccc(C(=O)Nc2cccc(Nc3cc(-c4c[nH]c5ccccc45)ncn3)c2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 10/20 0.82
PIP4K2A P48426 4/20 0.69
PIP4K2B P78356 4/20 0.69
PIKFYVE Q9Y2I7 1/20 0.69
CDK7 P50613 4/20 0.49
CCNH P51946 4/20 0.49
CDK2 P24941 2/20 0.49
IGF1R P08069 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
BACE1 P56817 2/20 0.48
CCNT1 O60563 1/20 0.44
CCNK O75909 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
CDK9 P50750 1/20 0.44
MNAT1 P51948 1/20 0.44
CDK5 Q00535 1/20 0.44

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
SCHEMBL24558485 0.92 PIP4K2C (0.80) PIP4K2CPIP4K2APIP4K2BPIKFYVECDK7
SCHEMBL24558481 0.86 PIP4K2C (0.75) PIP4K2CPIP4K2APIP4K2BPIKFYVECDK7
SCHEMBL20087925 0.82 PIP4K2A (1.00) PIP4K2CPIP4K2APIP4K2BPIKFYVECDK7
SCHEMBL18340770 0.82 PIP4K2A (0.84) PIP4K2CPIP4K2APIP4K2BPIKFYVECDK7
SCHEMBL30107628 0.82 PIP4K2A (1.00) PIP4K2CPIP4K2APIP4K2BPIKFYVECDK7
SCHEMBL24558494 0.80 PIP4K2C (0.65) PIP4K2CPIP4K2APIP4K2BPIKFYVECDK7
SCHEMBL24558504 0.78 PIP4K2C (0.67) PIP4K2CPIP4K2APIP4K2BPIKFYVECDK7
SCHEMBL24558500 0.78 PIP4K2C (0.60) PIP4K2CPIP4K2APIP4K2BPIKFYVECDK2
SCHEMBL15648481 0.75 PIP4K2C (0.58) PIP4K2CPIP4K2APIP4K2BPIKFYVECDK7
SCHEMBL1244782 0.73 PIP4K2C (0.57) PIP4K2CPIP4K2APIP4K2BPIKFYVECCNT1

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-2022140554-A1 SMALL MOLECULE DEGRADERS OF PHOSPHATIDYLINOSITOL-5-PHOSPHATE 4-KINASE TYPE 2 AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-30 WO disclosed