SCHEMBL28645366

SCHEMBL28645366

C=C(C)c1n[nH]c2c1CCN(C(=O)O)C2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 10/20 0.43
HCAR2 Q8TDS4 2/20 0.40
KMT2A Q03164 1/20 0.40
P2RX7 Q99572 2/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.39
BRD4 O60885 2/20 0.38
CREBBP Q92793 2/20 0.38
EP300 Q09472 1/20 0.38
AURKA O14965 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36

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
SCHEMBL19643345 0.82 ADORA1 (0.42) RBP4MAPK1
SCHEMBL17317850 0.79 P2RX7 (0.39) RBP4HCAR2KMT2AP2RX7MAPK1
SCHEMBL18587623 0.79 RBP4 (0.39) RBP4HCAR2KMT2ABRD4CREBBP
SCHEMBL28646727 0.76 P2RX7 (0.39) RBP4HCAR2KMT2AP2RX7MAPK1
SCHEMBL28644919 0.76 CREBBP (0.41) RBP4P2RX7MAPK1BRD4CREBBP
SCHEMBL28662073 0.75 CREBBP (0.39) RBP4HCAR2KMT2AP2RX7MAPK1
SCHEMBL21003205 0.73 P2RX7 (0.38) P2RX7
SCHEMBL5953472 0.73 HCAR2 (0.56) HCAR2KMT2AMAPK1TSHRBRD4
SCHEMBL23881426 0.72 P2RX7 (0.37) RBP4P2RX7MAPK1BRD4CREBBP
SCHEMBL5644483 0.72 DPP4 (0.50) RBP4P2RX7

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-109476663-B Pyrazolopyridine derivatives for the treatment of cancer 基因泰克公司 2021-11-09 CN disclosed