SCHEMBL30554335

SCHEMBL30554335

CC[C@@H](NC(=O)c1nc2cc3c(-c4ccncc4)n[nH]c3cc2[nH]1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.55
MAPK3 P27361 3/20 0.55
TACR3 P29371 15/20 0.49
TACR2 P21452 6/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49

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
SCHEMBL22284218 1.00 MAPK1 (0.55) MAPK1MAPK3TACR3TACR2CYP1A2
SCHEMBL20931757 1.00 MAPK1 (0.55) MAPK1MAPK3TACR3TACR2CYP1A2
SCHEMBL30554283 0.92 MAPK1 (0.59) MAPK1MAPK3TACR3
SCHEMBL20916798 0.92 MAPK1 (0.59) MAPK1MAPK3TACR3
SCHEMBL20931407 0.92 MAPK1 (0.59) MAPK1MAPK3TACR3
SCHEMBL30554325 0.91 MAPK1 (0.48) MAPK1MAPK3
SCHEMBL20931525 0.91 MAPK1 (0.48) MAPK1MAPK3
SCHEMBL22284205 0.91 MAPK1 (0.48) MAPK1MAPK3
SCHEMBL20920102 0.91 MAPK1 (0.49) MAPK1MAPK3
SCHEMBL30554370 0.91 MAPK1 (0.49) MAPK1MAPK3

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-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