SCHEMBL28503108

SCHEMBL28503108

CC(C)NC(=O)c1cnc(N2CC(CC#N)(n3cc(-c4ncnc5[nH]ccc45)c(N)n3)C2)cn1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.78
▸ AXL P30530 1/20 0.78
▸ JAK1 P23458 2/20 0.60

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
SCHEMBL29380081 0.88 JAK2 (1.00) JAK2AXLJAK1
SCHEMBL14331950 0.88 JAK2 (1.00) JAK2AXLJAK1
SCHEMBL28492504 0.81 JAK2 (0.57) JAK2AXLJAK1
SCHEMBL14377373 0.81 JAK2 (1.00) JAK2AXLJAK1
SCHEMBL21799097 0.81 JAK2 (1.00) JAK2AXLJAK1
SCHEMBL14377761 0.81 JAK2 (1.00) JAK2AXLJAK1
SCHEMBL14331926 0.80 JAK2 (1.00) JAK2AXLJAK1
SCHEMBL29379278 0.80 JAK2 (1.00) JAK2AXLJAK1
SCHEMBL31089956 0.80 JAK2 (0.58) JAK2JAK1
SCHEMBL28908042 0.80 JAK2 (0.60) JAK2JAK1

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-109867676-B Pyrrolopyrimidine derivative compound, pharmaceutical composition and application thereof 北京普祺医药科技有限公司 2020-10-30 — — CN disclosed
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