SCHEMBL27756554

SCHEMBL27756554

CC(C)c1ccc(N2N=C(O)c3ccccc3C2C=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ESRRA P11474 2/20 0.33
▸ MAOB P27338 1/20 0.33
▸ STING1 Q86WV6 2/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ GLB1 P16278 1/20 0.32
▸ CTRC Q99895 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ P2RX3 P56373 2/20 0.31
▸ ABCB1 P08183 1/20 0.31

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
SCHEMBL27696143 0.85 DHODH (0.36) DHODHMAOBSTING1EGFRERBB2
SCHEMBL27696134 0.84 MEN1 (0.30) MEN1KMT2A
SCHEMBL27677489 0.74 TDP1 (0.34) TDP1P2RX3
SCHEMBL27696148 0.70 PTGS2 (0.32) DHODHMEN1LMNAMAPTKMT2A
SCHEMBL27696136 0.69 EGFR (0.35) MEN1LMNAMAPTKMT2AEGFR
SCHEMBL27696130 0.68 PDE5A (0.36) MEN1LMNAMAPTKMT2ASTING1
SCHEMBL27696135 0.66 LMNA (0.36) LMNAMAPT
SCHEMBL27696153 0.64 MEN1 (0.43) MEN1LMNAMAPTKMT2AMAOB
SCHEMBL28433431 0.62 L3MBTL1 (0.41) MEN1MAPTKMT2AMAOBTDP1
SCHEMBL28766378 0.60 KDM4E (0.35) MEN1MAPTKMT2AEGFRERBB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101027290-B 2, 3-phthalazinone derivatives as AURORA-a kinase inhibitors HOFFMANN LA ROCHE 2010-05-12 — — CN disclosed
CN-101405001-A Methods of inhibiting BTK and SYK protein kinases HOFFMANN LA ROCHE (CH) 2009-04-08 — — CN disclosed
Send feedback