SCHEMBL28333310

SCHEMBL28333310

O=C(O)c1nc2cc3c(-c4ccncc4)n[nH]c3cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MAPK1 P28482 11/20 0.42
MAPK3 P27361 4/20 0.42
CHEK1 O14757 1/20 0.42
MAP2K4 P45985 6/20 0.41
MAPK6 Q16659 4/20 0.41
MAPKAPK3 Q16644 2/20 0.41
PIM1 P11309 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
MAPKAPK5 Q8IW41 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
SCHEMBL22369392 0.88 CHEK1 (0.41) MKNK1MAPK1MAPK3CHEK1MAP2K4
SCHEMBL20931536 0.85 MAP2K4 (0.46) MKNK1MAPK1MAPK3CHEK1MAP2K4
SCHEMBL30554310 0.85 MAP2K4 (0.46) MKNK1MAPK1MAPK3CHEK1MAP2K4
SCHEMBL20916861 0.84 MAPK1 (0.48) MKNK1MAPK1MAPK3CHEK1
SCHEMBL20917257 0.84 MAPK1 (0.48) MKNK1MAPK1MAPK3CHEK1
SCHEMBL22299598 0.82 PKN1 (0.51) MAPK1
SCHEMBL20932327 0.82 MKNK1 (0.42) MKNK1MAPK1MAPK3CHEK1PIM1
SCHEMBL22299386 0.82 MAPK1 (0.43) MKNK1MAPK1MAPK3CHEK1
SCHEMBL20916971 0.82 MAPK1 (0.43) MKNK1MAPK1MAPK3CHEK1
SCHEMBL20916970 0.82 MAPK1 (0.43) MKNK1MAPK1MAPK3CHEK1

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-112020357-B Salt of indazolyl-containing tricyclic derivative and crystal form thereof 上海翰森生物医药科技有限公司 2023-08-29 CN disclosed
CN-110546150-B Pyrazolyl-containing tricyclic derivatives, preparation method and application thereof 江苏豪森药业集团有限公司 2021-12-21 CN disclosed
CN-112020357-A Salts of indazolyl-containing tricyclic derivatives and crystal forms thereof 上海翰森生物医药科技有限公司 2020-12-01 CN disclosed
CN-110546150-A Pyrazolyl-containing tricyclic derivatives, preparation method and application thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO LTD 2019-12-06 CN disclosed