SCHEMBL22736500

SCHEMBL22736500

CC(N)CCC(c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.32
▸ GRM4 Q14833 2/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ GCG P01275 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
SCHEMBL22716928 0.90 GRM4 (0.33) JAK2GRM4MAPK1GCG
SCHEMBL29567676 0.90 GRM4 (0.33) JAK2GRM4MAPK1GCG
SCHEMBL22716892 0.89 JAK2 (0.31) JAK2GRM4MAPK1GCG
SCHEMBL29480580 0.89 JAK2 (0.31) JAK2GRM4MAPK1GCG
SCHEMBL29480626 0.89 JAK2 (0.31) JAK2GRM4MAPK1GCG
SCHEMBL22736163 0.89 JAK2 (0.31) JAK2GRM4MAPK1GCG
SCHEMBL22716893 0.89 JAK2 (0.31) JAK2GRM4MAPK1GCG
SCHEMBL29480663 0.89 GRM4 (0.32) JAK2GRM4MAPK1GCG
SCHEMBL22735800 0.89 GRM4 (0.32) JAK2GRM4MAPK1GCG
SCHEMBL22735745 0.88 GRM4 (0.34) JAK2GRM4MAPK1GCG

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
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO disclosed
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