SCHEMBL22735955

SCHEMBL22735955

CC(=O)N1CCC(C(O)(c2ccc(-n3cc(-c4ccnc(N)c4N)cn3)nc2)C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 15/20 0.37
▸ TAB1 Q15750 15/20 0.37
▸ MAP3K12 Q12852 1/20 0.35
▸ HDAC4 P56524 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ BMPR1A P36894 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ MET P08581 1/20 0.33

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
SCHEMBL29480769 1.00 MAP3K7 (0.37) MAP3K7TAB1MAP3K12HDAC4GRM4
SCHEMBL29480761 0.90 MAP3K7 (0.37) MAP3K7TAB1MAP3K12GRM4
SCHEMBL22736348 0.90 MAP3K7 (0.37) MAP3K7TAB1MAP3K12GRM4
SCHEMBL22736355 0.90 MELK (0.33) HDAC4GRM4ACVR1MET
SCHEMBL29480755 0.90 MELK (0.33) HDAC4GRM4ACVR1MET
SCHEMBL29480654 0.90 GRM4 (0.35) HDAC4GRM4
SCHEMBL22735730 0.85 MAP3K12 (0.34) MAP3K7TAB1MAP3K12HDAC4GRM4
SCHEMBL29480650 0.85 MAP3K12 (0.34) MAP3K7TAB1MAP3K12HDAC4GRM4
SCHEMBL22735756 0.81 CCNT1 (0.35) —
SCHEMBL29568176 0.81 CCNT1 (0.35) —

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
Send feedback