SCHEMBL29480667

SCHEMBL29480667

CC(F)(c1ccc(-n2cc(-c3ccnc(N)c3N)cn2)nc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 9/20 0.38
▸ HDAC4 P56524 1/20 0.33
▸ HTR2B P41595 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL22735763 1.00 GRM4 (0.38) GRM4HDAC4HTR2BMTNR1AKCNH2
SCHEMBL29480670 0.85 GRM4 (0.34) GRM4HDAC4
SCHEMBL22735754 0.85 GRM4 (0.34) GRM4HDAC4
SCHEMBL29480654 0.82 GRM4 (0.35) GRM4HDAC4
SCHEMBL22736355 0.80 MELK (0.33) GRM4HDAC4KCNH2
SCHEMBL29480755 0.80 MELK (0.33) GRM4HDAC4KCNH2
SCHEMBL22735728 0.79 GRM4 (0.36) GRM4HDAC4
SCHEMBL29480712 0.79 GRM4 (0.36) GRM4HDAC4
SCHEMBL22735955 0.77 MAP3K7 (0.37) GRM4HDAC4
SCHEMBL29480769 0.77 MAP3K7 (0.37) GRM4HDAC4

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-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 — — EP disclosed
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 — — CN disclosed
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