SCHEMBL18800469

SCHEMBL18800469

CC(C)COc1cccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)c(C(=N)N)c2N)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.61
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ FABP1 P07148 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ SLC16A3 O15427 1/20 0.36
▸ SLC16A1 P53985 1/20 0.36
▸ NR1H2 P55055 2/20 0.36
▸ NR1H3 Q13133 2/20 0.36
▸ TNK2 Q07912 2/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ F10 P00742 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
SCHEMBL18800769 0.87 ADORA2A (0.48) BTKMAPK10TNK2
SCHEMBL18800492 0.84 BTK (0.48) BTKTNK2
SCHEMBL18800882 0.84 BTK (0.42) BTKNR1H2NR1H3TNK2
SCHEMBL18800775 0.84 TNK2 (0.48) BTKKMT2ALMNAGAAMAPK10
SCHEMBL18800616 0.83 BTK (0.47) BTKTNK2
SCHEMBL18800753 0.83 BTK (0.49) BTKTNK2
SCHEMBL18800641 0.83 BTK (0.42) BTKNR1H2NR1H3TNK2
SCHEMBL18800574 0.83 BTK (0.42) BTKNR1H2NR1H3TNK2
SCHEMBL18800748 0.83 BTK (0.42) BTKLMNAGAAMAPK10NR1H2
SCHEMBL18800463 0.82 BTK (0.60) BTKNR1H2NR1H3TNK2

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
EP-2789615-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed
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