SCHEMBL29480762

SCHEMBL29480762

COC(c1ccc(-n2cc(-c3ccncc3)cn2)nc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 2/20 0.38
▸ EGLN1 Q9GZT9 4/20 0.37
▸ GCG P01275 3/20 0.33
▸ KDR P35968 4/20 0.33
▸ FLT1 P17948 2/20 0.33
▸ FLT4 P35916 2/20 0.33
▸ BMP4 P12644 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ GRM5 P41594 1/20 0.31

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
SCHEMBL29480747 0.81 GRM4 (0.37) EGLN1GRM4
SCHEMBL29480538 0.78 ADORA2A (0.34) EGLN1GRM4MAPT
SCHEMBL22736011 0.78 GRM4 (0.35) EGLN1GRM4
SCHEMBL29480656 0.78 GRM4 (0.35) EGLN1GRM4
SCHEMBL22735928 0.75 GRM4 (0.33) EGLN1GRM4
SCHEMBL29480752 0.75 GRM4 (0.33) EGLN1GRM4
SCHEMBL29480647 0.75 MELK (0.51) MELKEGLN1GCGKDRFLT1
SCHEMBL12199747 0.70 OGA (0.44) MAPT
SCHEMBL12181521 0.69 CYP11B1 (0.43) KDRMAPT
SCHEMBL12181379 0.69 CYP3A4 (0.36) KDR

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-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 — — CN disclosed
Send feedback