SCHEMBL18340698

SCHEMBL18340698

CN(C)C/C=C/CNc1ccc(C(=O)Nc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)ncn3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 15/20 0.57
PIP4K2B P78356 15/20 0.57
PIP4K2C Q8TBX8 1/20 0.48
PIKFYVE Q9Y2I7 1/20 0.48
MAPK8 P45983 2/20 0.42
MAPK9 P45984 2/20 0.42
MAPK10 P53779 1/20 0.42
CDK7 P50613 3/20 0.41
CCNH P51946 3/20 0.41

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
SCHEMBL18340752 0.96 PIP4K2A (0.54) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL18340738 0.95 PIP4K2A (0.56) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL18340763 0.92 PIP4K2A (0.57) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL20093361 0.92 PIP4K2A (0.68) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL18340701 0.91 PIP4K2A (0.47) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL29888558 0.88 PIP4K2A (0.65) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL20093356 0.88 PIP4K2A (0.65) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL20093472 0.88 PIP4K2A (0.67) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL22595058 0.85 PIP4K2A (0.55) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL20093369 0.85 PIP4K2A (0.67) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313530-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF Dana Farber Cancer Institute, Inc. (US) 2018-05-02 EP disclosed
WO-2016210296-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-12-29 WO disclosed