SCHEMBL18800818

SCHEMBL18800818

N=C(N)c1c(N)cc(-c2cccc(C(=O)O)c2)nc1-c1ccc(OC2C=CC=CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 2/20 0.35
▸ F10 P00742 3/20 0.34
▸ F2 P00734 1/20 0.34
▸ BTK Q06187 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ LDHA P00338 2/20 0.32
▸ LDHB P07195 2/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MIF P14174 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 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
SCHEMBL18800654 0.90 MKNK1 (0.35) BTKJAK2
SCHEMBL18800829 0.84 TNK2 (0.34) TNK2F10F2LMNAGAA
SCHEMBL18800817 0.81 TNK2 (0.52) TNK2F10F2BTK
SCHEMBL18800783 0.80 — —
SCHEMBL18800692 0.74 TEK (0.35) F10F2
SCHEMBL18800404 0.74 NPC1 (0.53) TNK2F10F2MEN1NPC1
SCHEMBL18800415 0.74 BTK (0.46) BTKGAAPDE4APDE4CPDE4D
SCHEMBL18800663 0.72 ALDH1A1 (0.47) TNK2BTKALDH1A1MAPT
SCHEMBL18800664 0.71 BTK (0.47) TNK2BTK
SCHEMBL18800836 0.71 BTK (0.42) BTKMEN1KMT2AATR

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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