SCHEMBL29845596

SCHEMBL29845596

Cc1ccc(C)c(C2NCCc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.36
PRCP P42785 1/20 0.36
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
EGFR P00533 1/20 0.33
BACE1 P56817 4/20 0.32
LPL P06858 4/20 0.31
LIPG Q9Y5X9 4/20 0.31
OPRM1 P35372 1/20 0.31
HIF1A Q16665 1/20 0.31
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30

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
SCHEMBL750211 0.76 KDM1A (0.38) KDM1APRCPDRD2DRD1EGFR
SCHEMBL19194249 0.71 LPL (0.41) LPLLIPGHIF1A
SCHEMBL20952603 0.68 BACE1 (0.35) EGFRBACE1LPLLIPG
SCHEMBL16831298 0.68 F11 (0.38) DRD2BACE1LPLLIPG
SCHEMBL30935345 0.68 LPL (0.35) KDM1ADRD1EGFRBACE1LPL
SCHEMBL24820904 0.67 LPL (0.40) DRD2BACE1LPLLIPG
SCHEMBL19752317 0.67 PRCP (0.55) KDM1APRCP
SCHEMBL19561505 0.67 HIF1A (0.34) LPLLIPGHIF1A
SCHEMBL17948747 0.66 ASIC3 (0.46) DRD2LPLLIPG
SCHEMBL31371681 0.66 ASIC3 (0.46) DRD2LPLLIPG

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-115028639-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-09-09 CN disclosed