SCHEMBL29223441

SCHEMBL29223441

O=C1C(c2cccnc2)NCCN1c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.43
CHRNB2 P17787 4/20 0.42
CHRNA4 P43681 4/20 0.42
POLB P06746 2/20 0.42
ALOX5 P09917 1/20 0.40
VHL P40337 1/20 0.40
CHRNA7 P36544 2/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL29223537 0.83 MAPT (0.50) CHRNB2CHRNA4POLBCHRNA7MAPT
SCHEMBL30902749 0.83 MAPT (0.50) CHRNB2CHRNA4POLBCHRNA7MAPT
SCHEMBL15415551 0.81 CRBN (0.49) CRBNPOLBALOX5MAPTHTT
SCHEMBL2198674 0.70 CRBN (0.63) CRBNPOLBALOX5ALDH1A1MEN1
SCHEMBL30702779 0.70 CRBN (0.63) CRBNPOLBALOX5ALDH1A1MEN1
SCHEMBL15415552 0.68 CRBN (0.39) CRBNALOX5MAPTALDH1A1CYP2C19
SCHEMBL10375118 0.68 CHRNB2 (0.56) CHRNB2CHRNA4POLBCHRNA7MAPT
SCHEMBL29090079 0.68 CRBN (0.55) CRBNALOX5ALDH1A1MEN1CYP2D6
SCHEMBL18124187 0.66 ALDH1A1 (0.57) CHRNB2CHRNA4CHRNA7MAPTHTT
SCHEMBL27707800 0.66 CYP2A6 (0.38) CHRNB2CHRNA4POLBVHLCHRNA7

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-117858874-A HPK1 degrading agents, compositions comprising the same, and methods of use thereof 百放开曼有限公司 2024-04-09 CN disclosed