SCHEMBL18340792

SCHEMBL18340792

Cc1ccc(NC(=O)c2ccc(NC/C=C/CN(C)C)cc2)cc1Nc1cc(-c2cnc3[nH]ccc3c2)ncn1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 14/20 0.84
PIP4K2B P78356 14/20 0.84
CDK7 P50613 3/20 0.49
CCNH P51946 3/20 0.49
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
PIP4K2C Q8TBX8 1/20 0.45
PIKFYVE Q9Y2I7 1/20 0.45
KIT P10721 2/20 0.40
PDGFRA P16234 2/20 0.40
KDR P35968 2/20 0.40

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
SCHEMBL18340719 0.93 PIP4K2A (0.83) PIP4K2APIP4K2BCDK7CCNHMAPK8
SCHEMBL20087920 0.91 PIP4K2A (1.00) PIP4K2APIP4K2BCDK7CCNHMAPK8
SCHEMBL18340729 0.91 PIP4K2A (0.84) PIP4K2APIP4K2BCDK7CCNHMAPK8
SCHEMBL18340762 0.85 PIP4K2A (0.82) PIP4K2APIP4K2BCDK7CCNHMAPK8
SCHEMBL20093354 0.83 PIP4K2A (1.00) PIP4K2APIP4K2BCDK7CCNHMAPK8
SCHEMBL20093372 0.82 PIP4K2A (0.87) PIP4K2APIP4K2BCDK7CCNHMAPK8
SCHEMBL20087918 0.82 PIP4K2A (1.00) PIP4K2APIP4K2BCDK7CCNHMAPK8
SCHEMBL18340763 0.81 PIP4K2A (0.57) PIP4K2APIP4K2BCDK7CCNHMAPK8
SCHEMBL18340702 0.81 PIP4K2A (0.68) PIP4K2APIP4K2BCDK7CCNHMAPK8
SCHEMBL18340775 0.79 PIP4K2A (0.58) PIP4K2APIP4K2BCDK7CCNHMAPK8

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