SCHEMBL6501043

SCHEMBL6501043

CCOC(=O)c1ccc2[nH]ncc2c1-c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK10 P53779 1/20 0.44
PTK2B Q14289 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 1/20 0.44
AURKA O14965 1/20 0.43
METAP2 P50579 1/20 0.42

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
SCHEMBL6491506 0.81 TRPA1 (0.46) NPC1METAP2RAB9AHPGD
SCHEMBL6491692 0.80 PARP1 (0.45) NPC1AURKAMETAP2RAB9AMAP2K1
SCHEMBL19100359 0.76 METTL3 (0.58) MEN1KMT2AMAPTCYP1A2NPC1
SCHEMBL4155814 0.75 ALDH1A1 (0.50) JAK2JAK3MEN1KMT2AMAPT
SCHEMBL20973053 0.74 MEN1 (0.51) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL22730639 0.71 ALOX5 (0.53) JAK2JAK3KMT2AMAPTNPC1
SCHEMBL24074556 0.71 MAPT (0.60) MAPTCYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL22886579 0.70 BRAF (0.52) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL11577717 0.70 KMT2A (0.56) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL830035 0.70 ALDH1A1 (0.59) MEN1KMT2AMAPTCYP1A2CYP2C19

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
US-6897231-B2 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. (US) 2005-05-24 US disclosed