SCHEMBL18800654

SCHEMBL18800654

N=C(N)c1c(N)cc(-c2cncc(C(=O)O)c2)nc1-c1ccc(OC2C=CC=CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ MAP4K4 O95819 1/20 0.34
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ BTK Q06187 2/20 0.31
▸ SCD O00767 2/20 0.31
▸ CHEK1 O14757 1/20 0.30

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
SCHEMBL18800818 0.90 TNK2 (0.35) JAK2BTK
SCHEMBL18800783 0.87 — —
SCHEMBL18800664 0.81 BTK (0.47) MKNK1MKNK2BTK
SCHEMBL18800829 0.76 TNK2 (0.34) MAP4K4
SCHEMBL18800817 0.70 TNK2 (0.52) BTK
SCHEMBL18800415 0.69 BTK (0.46) MAP4K4BTKCHEK1
SCHEMBL18800676 0.68 BTK (0.60) BTKCHEK1
SCHEMBL18800710 0.68 ALDH1A1 (0.46) BTK
SCHEMBL18800692 0.68 TEK (0.35) MKNK1MKNK2
SCHEMBL18800828 0.68 KDM4E (0.42) BTKCHEK1

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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