SCHEMBL28602277

SCHEMBL28602277

NC(=O)c1ccc2c(c1)nc(N)n2CC=CCn1c(N)nc2cc(C(N)=O)cc(Br)c21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.46
▸ JAK2 O60674 18/20 0.44
▸ JAK1 P23458 18/20 0.44
▸ TYK2 P29597 18/20 0.44
▸ JAK3 P52333 18/20 0.44
▸ PTGER4 P35408 1/20 0.39

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
SCHEMBL28602275 1.00 KMT2A (0.46) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL22121416 0.88 KMT2A (0.57) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL22121411 0.87 KMT2A (0.52) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL22151391 0.82 KMT2A (0.49) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL28752004 0.81 STING1 (0.42) —
SCHEMBL29689171 0.81 STING1 (0.42) —
SCHEMBL28752005 0.81 STING1 (0.42) —
SCHEMBL22937441 0.81 STING1 (0.50) JAK2JAK1TYK2JAK3
SCHEMBL29689511 0.81 STING1 (0.50) JAK2JAK1TYK2JAK3
SCHEMBL28751947 0.81 STING1 (0.50) JAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113549110-A Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-10-26 — — CN disclosed
CN-109608443-B Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-09-07 — — CN disclosed
CN-109071514-B Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-07-06 — — CN disclosed
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