SCHEMBL17525158

SCHEMBL17525158

FC(F)c1ccc([C@H]2COCCN2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 1/20 0.39
▸ PRKACG P22612 1/20 0.39
▸ PRKACB P22694 1/20 0.39
▸ CTSK P43235 1/20 0.38
▸ ATR Q13535 1/20 0.34
▸ ACVR1 Q04771 1/20 0.33
▸ CSNK1D P48730 1/20 0.32
▸ CSNK1E P49674 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ NOTUM Q6P988 1/20 0.31
▸ METTL3 Q86U44 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
SCHEMBL18387 0.81 CSNK1D (0.43) PRKACAPRKACGPRKACBCTSKACVR1
SCHEMBL280628 0.81 CSNK1D (0.43) PRKACAPRKACGPRKACBCTSKACVR1
SCHEMBL8321907 0.81 CSNK1D (0.43) PRKACAPRKACGPRKACBCTSKACVR1
SCHEMBL24540923 0.80 KMT2A (0.40) PRKACAPRKACGPRKACBCTSKATR
Hydrochloric Acid SCHEMBL28214300 0.79 CSNK1D (0.43) PRKACAPRKACGPRKACBCTSKACVR1
Hydrochloric Acid SCHEMBL28500586 0.79 CSNK1D (0.43) PRKACAPRKACGPRKACBCTSKACVR1
SCHEMBL3399522 0.77 PRKACA (0.47) PRKACAPRKACGPRKACBCTSKATR
SCHEMBL21717791 0.77 MAPT (0.44) PRKACAPRKACGPRKACBCTSKATR
SCHEMBL22589151 0.77 CHRNA7 (0.47) PRKACAPRKACGPRKACBCTSK
SCHEMBL2944138 0.77 CHRNA7 (0.47) PRKACAPRKACGPRKACBCTSK

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
WO-2016020295-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2016-02-11 — — WO disclosed
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