SCHEMBL881833

SCHEMBL881833

Nc1ccc(-n2ncc3cnccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.50
PRKCZ Q05513 1/20 0.41
CYP11B2 P19099 2/20 0.41
KHK P50053 1/20 0.38
NR3C1 P04150 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
PDE10A Q9Y233 1/20 0.37
MAP4K1 Q92918 1/20 0.36
HASPIN Q8TF76 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CDC7 O00311 1/20 0.36
CDK2 P24941 1/20 0.36
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNA1 Q09470 1/20 0.35

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
SCHEMBL27837485 0.86 PDE10A (0.42) MKNK2PRKCZCYP11B2KHKLMNA
SCHEMBL568363 0.83 CYP11B2 (0.55) MKNK2CYP11B2NR3C1CYP17A1CYP1A2
SCHEMBL31691962 0.82 ALDH1A1 (0.53) MKNK2CYP11B2KHKNR3C1MAP4K1
SCHEMBL13836976 0.79 CHEK1 (0.50) CYP11B2NR3C1
SCHEMBL25269630 0.78 CYP11B2 (0.47) CYP11B2KHKNR3C1MAPK1
SCHEMBL10005684 0.76 MKNK2 (0.48) MKNK2LMNAMAPTALDH1A1CDC7
Isonicotinic Acid SCHEMBL27937036 0.73 PIM3 (0.47) CYP11B2NR3C1MAPTALDH1A1MAPK1
SCHEMBL13836272 0.73 NR3C1 (0.57) CYP11B2NR3C1
SCHEMBL27918383 0.73 NR3C1 (0.35) CYP11B2KHKNR3C1ALDH1A1MEN1
SCHEMBL15402620 0.71 MKNK2 (0.43) MKNK2CYP11B2MAPTPDE10AALDH1A1

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-102153551-B Indazole/azaindazole-based diarylcarbamide/thiocarbamide-structure antineoplastic drug JINAN HAILE MEDICAL TECHNOLOGY DEV CO LTD 2012-04-25 CN disclosed
WO-2011120327-A9 ANTI-TUMOR MEDICAMENT OF STRUCTURE OF DIARYLUREA OR THIOUREA KIND BASED ON INDAZOLE OR AZA-INDAZOLE 济南海乐医药技术开发有限公司 (CN) 2012-03-29 WO disclosed
WO-2011120327-A1 ANTI-TUMOR MEDICAMENT OF STRUCTURE OF DIARYLUREA OR THIOUREA KIND BASED ON INDAZOLE OR AZA-INDAZOLE 济南海乐医药技术开发有限公司 (CN) 2011-10-06 WO disclosed
CN-102153551-A Indazole/azaindazole-based diarylcarbamide/thiocarbamide-structure antineoplastic drug JINAN HAILE MEDICAL TECHNOLOGY DEV CO LTD 2011-08-17 CN disclosed