SCHEMBL28394115

SCHEMBL28394115

CN(C)C/C=C/C(=O)Nc1ccnc(-c2cccc3cnc(Nc4cccnc4C4CNCCO4)nc23)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 4/20 0.42
▸ MAPK9 P45984 4/20 0.42
▸ MAPK10 P53779 4/20 0.42
▸ IRAK1 P51617 1/20 0.42
▸ EGFR P00533 8/20 0.40
▸ ITK Q08881 3/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ FLT3 P36888 1/20 0.38
▸ BLK P51451 1/20 0.38
▸ CDK7 P50613 6/20 0.38
▸ CCNH P51946 6/20 0.38
▸ CDK1 P06493 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ MNAT1 P51948 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ PLCG1 P19174 1/20 0.36

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
SCHEMBL28382516 0.92 MAPK8 (0.43) MAPK8MAPK9MAPK10IRAK1EGFR
SCHEMBL28384166 0.91 JAK3 (0.38) JAK3
SCHEMBL28387903 0.91 JAK3 (0.38) JAK3
SCHEMBL28383193 0.89 MAPK8 (0.38) MAPK8MAPK9MAPK10IRAK1EGFR
SCHEMBL28382401 0.88 FGFR1 (0.42) EGFRITKJAK3
SCHEMBL28383229 0.87 MAP3K5 (0.36) —
SCHEMBL28394086 0.87 FGFR1 (0.36) EGFR
SCHEMBL28388765 0.87 FGFR1 (0.36) EGFR
SCHEMBL28383280 0.85 — —
SCHEMBL28388469 0.82 FGFR1 (0.44) EGFRJAK3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105682661-B Certain chemical entities, compositions, and methods 润新生物公司 2020-03-27 — — CN claimed
CN-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
CN-111285813-A Chemical entities, compositions, and methods 润新生物公司 2020-06-16 — — CN disclosed
CN-105682661-B Certain chemical entities, compositions, and methods 润新生物公司 2020-03-27 — — CN disclosed
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