SCHEMBL28337228

SCHEMBL28337228

[CH2]N1CCN(c2ncnc(I)c2[C@H](C)CC(=O)N(C)OC)CC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
P2RY12 Q9H244 1/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
AURKA O14965 2/20 0.32
PDGFRB P09619 2/20 0.31
BTK Q06187 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ENPP1 P22413 1/20 0.31
KIT P10721 1/20 0.30
PDGFRA P16234 1/20 0.30
FLT3 P36888 1/20 0.30
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
MTNR1B P49286 1/20 0.30
HTR2C P28335 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
SCHEMBL28339340 0.91 AURKA (0.35) MAPTP2RY12ACHEBACE1AURKA
SCHEMBL28339341 0.91 AURKA (0.35) MAPTP2RY12ACHEBACE1AURKA
SCHEMBL16719272 0.88 AURKA (0.31) MAPTAURKA
SCHEMBL30142914 0.88 CLK4 (0.36) MAPTTSHRENPP1HTR2C
SCHEMBL16773148 0.87 AURKA (0.30) AURKA
SCHEMBL15390832 0.86 KIT (0.41) MAPTACHETSHRSMN1; SMN2KIT
SCHEMBL15390831 0.86 KIT (0.41) MAPTACHETSHRSMN1; SMN2KIT
SCHEMBL21485106 0.80 LIMK2 (0.35) AURKA
SCHEMBL21485105 0.80 LIMK2 (0.35) AURKA
SCHEMBL19464506 0.75 KIT (0.42) MAPTTSHRSMN1; SMN2RXFP1KIT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590606-B Process for preparing pyrimidylcyclopentane compounds 豪夫迈·罗氏有限公司 2023-02-17 CN disclosed
CN-105899492-B Process for preparing pyrimidylcyclopentane compounds 豪夫迈·罗氏有限公司 2021-08-24 CN disclosed
CN-112898210-A Process for preparing pyrimidylcyclopentane compounds 豪夫迈·罗氏有限公司 2021-06-04 CN disclosed
CN-110590606-A Process for preparing pyrimidylcyclopentane compounds 豪夫迈·罗氏有限公司 2019-12-20 CN disclosed