SCHEMBL5765736

SCHEMBL5765736

Cc1nccc(-c2cc(Cl)cc3c2[nH]c2cncc(N)c23)c1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 11/20 0.40
▸ MAP2 P11137 2/20 0.37
▸ JAK2 O60674 3/20 0.35
▸ ICOSLG O75144 3/20 0.34
▸ ICOS Q9Y6W8 3/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ PKMYT1 Q99640 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ NUDT1 P36639 1/20 0.32
▸ BRAF P15056 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
SCHEMBL1800497 0.73 CHUK (0.52) CHUKICOSLGICOSDYRK1A
SCHEMBL3454907 0.69 CHUK (0.56) CHUKICOSLGICOSDYRK1A
SCHEMBL1798096 0.67 CHUK (0.56) CHUKICOSLGICOS
SCHEMBL1800336 0.66 CHUK (0.73) CHUKICOSLGICOS
SCHEMBL15455367 0.65 GRM2 (0.47) JAK2
SCHEMBL27473965 0.65 MKNK1 (0.46) JAK2NUDT1
SCHEMBL1799095 0.64 CHUK (0.55) CHUKDYRK1A
SCHEMBL5802216 0.63 CHUK (0.66) CHUKMAP2JAK2ICOSLGICOS
SCHEMBL30664147 0.63 CCNB2 (0.42) CHUKJAK2DYRK1A
SCHEMBL20122901 0.63 CCNB2 (0.42) CHUKJAK2DYRK1A

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
EP-1611134-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-04 — — EP disclosed
WO-2004092167-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-10-28 — — WO disclosed
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