SCHEMBL28905293

SCHEMBL28905293

CN1CC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.42
QDPR P09417 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HTR1A P08908 1/20 0.35
ALOX15 P16050 1/20 0.35
HTR6 P50406 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL24802975 0.83 SLC6A4 (0.41) SLC6A4QDPR
SCHEMBL31223021 0.81 QDPR (0.44) SLC6A4QDPR
SCHEMBL16101100 0.79 SLC6A4 (0.46) SLC6A4QDPRKDM4ELMNAPOLB
SCHEMBL17897342 0.79 QDPR (0.54) QDPR
SCHEMBL18620920 0.76 QDPR (0.47) QDPR
SCHEMBL28517116 0.75 SLC6A4 (0.55) SLC6A4HTR6
SCHEMBL23551386 0.75 SLC6A4 (0.49) SLC6A4QDPRKDM4ELMNAPOLB
SCHEMBL429388 0.74 GAA (0.39) KDM4ELMNAPOLBHSD17B10
SCHEMBL459256 0.74 ALDH1A1 (0.48) KDM4ELMNAHSD17B10
SCHEMBL28513402 0.73 HTR6 (0.38) SLC6A4QDPRHTR6

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-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed