SCHEMBL20633411

SCHEMBL20633411

C=C(Nc1ccncc1F)N1c2nc(-c3ccccc3C(F)(F)F)ccc2N2CC[C@H]1C2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 10/20 0.45
▸ PIM1 P11309 7/20 0.45
▸ PIM3 Q86V86 6/20 0.45
▸ GSK3B P49841 3/20 0.41
▸ PRKCA P17252 2/20 0.41
▸ PRKCQ Q04759 2/20 0.41
▸ TRPV1 Q8NER1 2/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ GSK3A P49840 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ RBP4 P02753 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ WNT3A P56704 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
SCHEMBL17618461 0.90 PIM2 (0.48) PIM2PIM1PIM3GSK3BPRKCA
SCHEMBL19670232 0.75 PIM2 (0.43) PIM2PIM1PIM3GSK3BPRKCA
SCHEMBL17618443 0.75 TRPV1 (0.49) PIM2PIM1PIM3GSK3BPRKCA
SCHEMBL17618436 0.75 TRPV1 (0.41) PIM2PIM1PIM3GSK3BPRKCA
SCHEMBL16238183 0.75 RPS6KB1 (0.39) GSK3A
SCHEMBL17618460 0.73 CYP2C19 (0.37) PIM2PIM3CYP2C19
SCHEMBL17618404 0.72 TRPV1 (0.42) PIM2PIM1PIM3GSK3BTRPV1
SCHEMBL17618462 0.71 ABL1 (0.41) DYRK1A
SCHEMBL17618360 0.71 GRM5 (0.37) PIM2PIM1PIM3TRPV1
SCHEMBL19365347 0.71 BTK (0.36) PIM2PIM1PIM3TRPV1

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-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP disclosed
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