SCHEMBL28533490

SCHEMBL28533490

NC(=O)OC1CC(COc2cnc(C(F)(F)F)nc2)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.35
PARP15 Q460N3 5/20 0.35
PARP2 Q9UGN5 2/20 0.35
P2RX3 P56373 6/20 0.34
P2RX2 Q9UBL9 6/20 0.34
GPR119 Q8TDV5 1/20 0.34
FFAR1 O14842 1/20 0.32
CHRNA7 P36544 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL28533487 1.00 PARP10 (0.35) PARP10PARP15PARP2P2RX3P2RX2
SCHEMBL29279746 0.84 CHRNB2 (0.48) PARP10PARP15PARP2GPR119CHRNA7
SCHEMBL21492131 0.79 CHRNB2 (0.35) P2RX3P2RX2
SCHEMBL21492093 0.79 CHRNB2 (0.35) P2RX3P2RX2
SCHEMBL21492249 0.76 P2RX3 (0.38) P2RX3P2RX2FFAR1
SCHEMBL21492250 0.76 P2RX3 (0.38) P2RX3P2RX2FFAR1
SCHEMBL29042321 0.76 FFAR1 (0.54) FFAR1
SCHEMBL21492176 0.73 P2RX3 (0.35) P2RX3P2RX2FFAR1
SCHEMBL21492177 0.73 P2RX3 (0.35) P2RX3P2RX2FFAR1
SCHEMBL21503407 0.72 KMT2A (0.39) P2RX3P2RX2GPR119ACACB

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
CN-112218865-A Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2021-01-12 CN disclosed