SCHEMBL29933480

SCHEMBL29933480

COc1cc(Br)c2cccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.49
PDGFRB P09619 2/20 0.43
PDGFRA P16234 2/20 0.43
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
NSD2 O96028 1/20 0.43
CASP6 P55212 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL14659225 1.00 SYK (0.49) SYKPDGFRBPDGFRAHTR1AADRA1D
SCHEMBL31328784 0.85 SYK (0.42) SYKPDGFRBPDGFRAHTR1AADRA1D
SCHEMBL27980378 0.82 SYK (0.64) SYKPDGFRBPDGFRAKDM4EMEN1
SCHEMBL3971693 0.82 SYK (0.49) SYKPDGFRBPDGFRAHTR1AADRA1D
SCHEMBL3971691 0.81 SYK (0.48) SYKPDGFRBPDGFRAHTR1AADRA1D
SCHEMBL3968718 0.79 SYK (0.47) SYKPDGFRBPDGFRAHTR1AADRA1D
SCHEMBL7354335 0.79 SYK (0.44) SYKPDGFRBPDGFRAHTR1AADRA1D
SCHEMBL25467033 0.79 MAPT (0.45) MEN1KMT2AHTTTDP1MAPT
SCHEMBL31298565 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL2996402 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BKDM4E

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
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed
EP-4055014-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS Yuhan Corporation (KR) 2022-09-14 EP disclosed