SCHEMBL23199583

SCHEMBL23199583

O=C1NCC[C@]12CCNC2

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.61
OTUD7B Q6GQQ9 1/20 0.43
BACE1 P56817 1/20 0.35
NEK2 P51955 1/20 0.30
HTR2A P28223 1/20 0.30
HSD17B10 Q99714 1/20 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
SCHEMBL12501024 1.00 CRBN (0.61) CRBNOTUD7BBACE1NEK2HTR2A
Hydrochloric Acid SCHEMBL18151735 0.98 CRBN (0.59) CRBNOTUD7BBACE1
Hydrochloric Acid SCHEMBL19032354 0.98 CRBN (0.59) CRBNOTUD7BBACE1
SCHEMBL1810656 0.89 CRBN (0.50) CRBNOTUD7BHTR2AHSD17B10
SCHEMBL30633804 0.89 CRBN (0.50) CRBNOTUD7BHTR2AHSD17B10
SCHEMBL12500998 0.89 CRBN (0.55) CRBNOTUD7BBACE1
SCHEMBL549600 0.89 CRBN (0.50) CRBNOTUD7BHTR2AHSD17B10
SCHEMBL20474650 0.88
SCHEMBL21238839 0.87 CRBN (0.53) CRBNOTUD7BBACE1
SCHEMBL21238838 0.87 CRBN (0.48) CRBNOTUD7B

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
EP-3802544-A1 PYRAZOLO-PYRIMIDIN-AMINO-CYCLOALKYL COMPOUNDS AND THEIR THERAPEUTIC USES RAPT Therapeutics, Inc. (US) 2021-04-14 EP claimed
EP-3802544-A1 PYRAZOLO-PYRIMIDIN-AMINO-CYCLOALKYL COMPOUNDS AND THEIR THERAPEUTIC USES RAPT Therapeutics, Inc. (US) 2021-04-14 EP disclosed