SCHEMBL8041792

SCHEMBL8041792

CCCn1nc(N)c2cc(F)c(-c3cnn4ccccc34)nc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 2/20 0.43
MAPK1 P28482 4/20 0.39
JAK2 O60674 2/20 0.35
DYRK1A Q13627 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
IGF1R P08069 3/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
EGFR P00533 1/20 0.33
CYP3A4 P08684 1/20 0.33
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
KCNH2 Q12809 1/20 0.32
BRD4 O60885 1/20 0.32
EPHB3 P54753 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32

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
SCHEMBL7954537 0.90 MAPK1 (0.49) PIK3CBMAPK1JAK2IGF1RPRMT5
SCHEMBL8034850 0.90 PIK3CB (0.40) PIK3CBMAPK1JAK2DYRK1AADORA2A
SCHEMBL13099810 0.86 PIK3CB (0.41) PIK3CBMAPK1JAK2IGF1RPRMT5
SCHEMBL7953230 0.85 PIK3CB (0.44) PIK3CBMAPK1JAK2IGF1REGFR
SCHEMBL7952511 0.80 ALDH1A1 (0.50) PIK3CBMAPK1CYP3A4
SCHEMBL7950686 0.79 KDM4E (0.38) PIK3CBMAPK1JAK2IGF1RCYP3A4
SCHEMBL8043772 0.78 KDM4E (0.38) PIK3CBMAPK1JAK2IGF1RCYP3A4
SCHEMBL3239677 0.76 MAPK1 (0.36) PIK3CBMAPK1EGFRAKT1AKT2
SCHEMBL8049613 0.76 ATM (0.42) PIK3CBMAPK1JAK2IGF1REGFR
SCHEMBL7955207 0.74 ALDH1A1 (0.37) MAPK1DYRK1AADORA2APRMT5WDR77

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
WO-2009038385-A2 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2009-03-26 WO disclosed