SCHEMBL31049415

SCHEMBL31049415

N#Cc1c(-c2ccn[nH]2)[nH]c2cc(F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
NOTUM Q6P988 3/20 0.40
USP20 Q9Y2K6 1/20 0.38
HPGDS O60760 1/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
SCN4A P35499 1/20 0.35
CYP19A1 P11511 1/20 0.34
NTRK1 P04629 1/20 0.34
SRPK1 Q96SB4 1/20 0.34
EML4 Q9HC35 1/20 0.34
ALK Q9UM73 1/20 0.34
MAPK10 P53779 2/20 0.33

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
SCHEMBL31049545 0.81 AURKA (0.46) IDO1HPGDSCDK1CDK2SCN4A
SCHEMBL31049324 0.76 DYRK1A (0.42) NOTUMHPGDSCDK1CDK2SCN4A
SCHEMBL1606453 0.74 TDO2 (0.52) CYP19A1HPGDHTR2AHTR2CKCNH2
SCHEMBL1814795 0.70 NOTUM (0.59) IDO1NOTUMHPGDSSCN4A
SCHEMBL31049308 0.70 USP20 (0.45) USP20CCNB2CDK1CCNB1CCNA2
SCHEMBL23885700 0.70 USP20 (0.66) USP20CCNB2CDK1CCNB1CCNA2
SCHEMBL1810095 0.65 NOTUM (0.51) IDO1NOTUMHPGDSSCN4A
Hydrochloric Acid SCHEMBL13733073 0.64 NOTUM (0.50) IDO1NOTUMHPGDSSCN4A
SCHEMBL2126317 0.63 KDM5A (0.57) ALDH1A1
SCHEMBL16252839 0.62 MAP2K4 (0.51) NTRK1ITKHTR2A

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-118359627-A MTA synergistic PRMT5 inhibitor compounds having a tetracyclic fused ring structure 烨辉医药科技(上海)有限公司 2024-07-19 CN disclosed